data_2le8_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 2le8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 m -62.13 -44.98 95.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.737 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -41.79 99.51 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.949 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.67 -45.46 86.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.473 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 m -66.38 -40.64 89.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 0.0 110.865 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.492 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 9.9 tpt180 -63.62 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.576 HG22 HG23 ' A' ' 73' ' ' VAL . 1.5 mp -78.54 -49.92 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -57.27 -37.11 71.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.502 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.87 -35.98 75.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 HD21 HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.57 -36.52 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.731 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 24' ' ' ILE . 1.6 mm -70.39 -52.34 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.73 -43.66 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -66.31 -49.33 67.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -68.93 -30.97 69.53 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.337 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD21 HG11 ' A' ' 110' ' ' VAL . 29.9 tp -74.4 -47.48 33.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.849 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.645 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 13.9 ptm180 -62.0 -29.67 70.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 110.533 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -70.73 -45.39 64.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.55 -34.62 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.645 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.4 pt-20 -68.79 -29.39 67.74 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -71.46 -31.35 67.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.658 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -83.89 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.162 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -107.37 -83.27 0.54 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.418 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -177.81 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -164.04 99.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.14 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.01 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.637 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.37 -179.57 0.13 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.645 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? 54.73 71.82 0.51 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.644 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -154.97 59.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.899 0.381 . . . . 0.0 111.652 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -75.44 -62.2 1.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -32.84 41.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.09 -43.3 86.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD11 ' HE1' ' A' ' 48' ' ' TRP . 20.9 tp -57.17 -45.27 83.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.685 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.792 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.2 t -72.53 -42.89 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.038 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -50.87 -58.8 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.69 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.517 ' HE1' HD11 ' A' ' 45' ' ' LEU . 24.4 p-90 -66.41 -30.21 70.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.886 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' OH ' ' HG3' ' A' ' 19' ' ' ARG . 19.3 t80 -61.67 -51.02 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.119 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 12.0 mt -62.69 -41.51 99.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.835 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -67.07 -23.99 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.317 . . . . 0.0 111.844 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -84.39 -37.45 21.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.912 0.387 . . . . 0.0 111.824 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.666 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 38.6 pt -95.46 -10.16 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt-20 -59.24 -23.83 62.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 m -76.61 -28.1 55.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 5.0 pt-20 -93.73 -21.19 19.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.311 0.577 . . . . 0.0 109.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 62' ' ' GLU . 30.5 mm -81.05 91.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.269 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -94.12 -7.23 43.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -118.34 133.56 55.79 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.866 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.674 ' HG2' HD13 ' A' ' 64' ' ' ILE . 57.5 tt0 -56.17 -37.98 70.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.24 -48.53 68.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.186 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.795 ' HB3' HD13 ' A' ' 57' ' ' ILE . 15.8 mm-40 -55.9 -50.92 69.36 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.882 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 8.8 tp -59.16 -48.32 82.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.231 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.674 HD13 ' HG2' ' A' ' 60' ' ' GLU . 45.5 mt -58.76 -39.56 77.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.2 t30 -69.04 -48.43 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.778 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -59.78 -42.08 92.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HD2' HD11 ' B' ' 390' ' ' LEU . 88.3 mttt -68.23 -35.35 77.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.841 0.353 . . . . 0.0 110.408 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -64.87 -46.92 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.0 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 65' ' ' ASN . 45.5 mm -66.9 -48.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.158 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 67' ' ' LYS . 10.9 tp -58.99 -41.69 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.114 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.52 -45.9 71.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.137 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -61.45 -39.19 89.93 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 20' ' ' ILE . 38.7 t -65.41 -46.85 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.589 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 45' ' ' LEU . 95.9 mt -61.93 -42.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.998 0.428 . . . . 0.0 110.203 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -63.24 -40.32 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.237 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.643 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 42.7 ttp180 -70.66 -42.48 70.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.815 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.6 tt -56.08 -40.13 73.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.28 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.67 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 4.2 p -87.1 3.35 46.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.724 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -141.6 -82.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.643 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.0 m-85 -55.71 -52.08 65.1 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.578 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 47.4 m-20 -69.31 -39.51 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 56.85 39.56 29.47 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.886 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.542 HG23 ' HG ' ' A' ' 77' ' ' LEU . 6.7 m -103.47 11.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.518 0.675 . . . . 0.0 109.893 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -90.95 155.43 18.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.921 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.828 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.2 mt -128.09 136.13 61.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.38 119.18 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.828 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -140.69 153.65 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.574 HG11 HD21 ' A' ' 28' ' ' LEU . 3.4 p -115.82 144.83 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.516 0.198 . . . . 0.0 111.358 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.8 t30 -78.75 131.01 68.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.899 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 17.3 Cg_exo -67.58 -5.27 13.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.984 2.456 . . . . 0.0 112.964 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.82 -67.85 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.321 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.462 ' CD1' HG22 ' A' ' 83' ' ' VAL . 1.6 t80 59.87 -164.46 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.511 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.131 -0.355 . . . . 0.0 111.75 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.896 HD11 ' HD2' ' A' ' 67' ' ' LYS . 6.1 tp . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 15.7 tt0 -57.58 -29.94 64.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -22.36 62.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.487 0.661 . . . . 0.0 110.556 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.764 HG12 HD23 ' A' ' 63' ' ' LEU . 9.2 mt -72.34 -31.65 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.05 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 22.2 ptt85 -59.64 -32.27 70.29 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.132 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -85.06 -30.11 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.545 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.234 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.776 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 36.8 m-85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -54.73 -48.66 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.047 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.89 -43.16 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.568 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.776 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 31.7 m-85 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -61.5 -43.19 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -48.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.423 . . . . 0.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -57.54 -43.31 84.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.39 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.04 -41.3 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.079 0.466 . . . . 0.0 110.355 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.427 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.3 mm -65.76 -47.82 84.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.88 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.64 -49.71 79.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.757 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.53 -49.1 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.628 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HE1' ' HA ' ' A' ' 40' ' ' LEU . 57.8 t-80 -57.78 -46.83 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.74 -38.68 89.79 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.679 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.19 -45.81 91.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 110.661 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.21 -41.91 84.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.34 0.59 . . . . 0.0 110.08 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.48 -51.7 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.453 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.886 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 14.3 pt-20 -61.32 -31.69 71.55 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.787 0.327 . . . . 0.0 111.385 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.83 -38.63 61.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -85.77 -63.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -115.76 -0.03 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.886 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER 69.13 -75.42 0.07 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.412 0.685 . . . . 0.0 112.19 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -113.0 84.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 29.69 7.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.693 ' HA ' HG23 ' A' ' 109' ' ' VAL . . . 53.8 -149.01 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.634 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HA ' ' HE1' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -155.95 -37.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.555 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.464 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.2 mttp 65.73 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.66 0.6 . . . . 0.0 110.617 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.585 ' HB3' HG22 ' A' ' 74' ' ' ILE . 1.7 ptm180 -53.49 -52.61 59.02 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.504 ' H ' ' HG3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -58.46 -37.85 76.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.25 . . . . 0.0 111.546 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.21 -43.56 51.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 HD23 ' HE1' ' A' ' 48' ' ' TRP . 3.6 mt -53.74 -51.79 62.21 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.466 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.852 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 31.7 t -66.0 -40.8 88.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.745 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 43' ' ' SER . 62.2 t30 -52.01 -60.7 2.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.861 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.414 ' HE1' HD23 ' A' ' 45' ' ' LEU . 53.7 p-90 -68.12 -28.85 67.68 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.094 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' HG12 ' A' ' 53' ' ' ILE . 33.7 t80 -60.81 -46.39 90.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.169 0.509 . . . . 0.0 109.897 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.852 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 18.1 mt -62.24 -41.3 98.3 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -62.7 -23.77 67.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.44 -25.59 28.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.616 ' O ' HG12 ' A' ' 57' ' ' ILE . 31.5 pt -112.78 -4.21 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 11.5 pt-20 -61.6 -21.97 64.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 m -90.1 -19.64 24.08 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.983 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.3 pt-20 -86.28 -29.5 23.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.882 HG23 ' HB2' ' A' ' 62' ' ' GLU . 37.4 mm -76.93 124.83 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.831 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -113.68 -23.64 9.61 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.48 0.657 . . . . 0.0 109.773 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.553 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 3.2 m -111.06 158.19 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.156 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -38.21 78.52 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.001 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.21 -45.72 83.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.793 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.882 ' HB2' HG23 ' A' ' 57' ' ' ILE . 15.8 mt-10 -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.74 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.7 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 9.7 tp -65.16 -48.29 74.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.686 ' HA ' HD11 ' B' ' 390' ' ' LEU . 96.8 mt -60.54 -40.6 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -47.88 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.737 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 70' ' ' ILE . 17.6 mmtm -62.68 -47.48 83.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.722 ' HZ1' HD11 ' A' ' 50' ' ' LEU . 58.1 mttt -67.88 -34.72 77.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.91 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 41.8 ttp180 -63.51 -44.3 94.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.359 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.31 -49.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.789 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.742 HG21 HG12 ' A' ' 46' ' ' VAL . 10.0 tp -56.16 -44.33 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.91 -37.22 67.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.248 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 31.0 ttpt -65.01 -37.62 88.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.98 -44.44 99.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.585 HG22 ' HB3' ' A' ' 42' ' ' ARG . 55.7 mt -65.12 -39.87 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.421 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.79 -36.65 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.522 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.741 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 44.3 ttp180 -71.53 -44.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.854 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 16.1 tp -56.95 -40.85 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.898 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.816 ' HA ' HD23 ' A' ' 84' ' ' LEU . 10.3 p -83.24 -2.1 54.76 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -132.1 -76.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.939 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.741 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 48.4 m-85 -61.66 -50.22 73.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.569 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.854 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 22.7 m-20 -65.34 -51.86 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 59.68 29.72 19.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.249 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.88 30.47 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 122.586 1.184 . . . . 0.0 109.736 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.816 HD23 ' HA ' ' A' ' 78' ' ' THR . 1.0 OUTLIER -90.44 160.47 16.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.546 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.766 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 10.2 mt -123.04 127.86 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 110.743 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 84' ' ' LEU . 74.0 mt -109.13 135.78 49.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.083 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.766 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 4.6 t -125.72 166.23 22.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.932 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.404 ' N ' HG12 ' A' ' 109' ' ' VAL . 11.8 p -126.47 139.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -67.94 136.21 92.06 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.84 -19.67 40.2 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.891 2.394 . . . . 0.0 112.339 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.82 62.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 109.23 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.422 ' CE1' HD11 ' A' ' 77' ' ' LEU . 56.4 t80 -94.15 119.92 33.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.659 ' H ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' ' 64' ' ' ILE . 2.5 tp . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.876 0.369 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 6.2 mm-40 -64.91 -14.1 58.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.229 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.89 -22.67 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 109.671 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -62.06 -38.67 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.305 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 7.7 ptp180 -60.86 -29.42 69.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.22 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.09 -39.02 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.486 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.493 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.497 ' HB3' ' CB ' ' A' ' 17' ' ' TYR . 98.0 m-85 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.927 0.394 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -47.91 84.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.25 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.6 71.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.67 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.497 ' CB ' ' HB3' ' A' ' 14' ' ' PHE . 1.9 t80 -58.4 -43.6 88.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.426 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.02 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.736 0.303 . . . . 0.0 111.596 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.5 -38.86 71.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.871 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.572 HG21 HG21 ' A' ' 73' ' ' VAL . 1.6 mp -77.78 -48.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.489 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 p -53.34 -44.96 68.9 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.602 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.507 ' HA ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -64.64 -37.22 86.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.79 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -60.08 -36.82 78.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 23' ' ' LEU . 3.1 mm -70.28 -51.91 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.507 HG13 ' HA ' ' A' ' 22' ' ' ASN . 7.2 p -66.69 -39.98 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.25 -47.36 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.653 0.263 . . . . 0.0 111.491 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -63.5 -42.46 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 112' ' ' PRO . 1.9 tm? -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.132 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 ptm180 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -72.75 -52.68 14.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.781 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.06 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -72.07 -27.9 62.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.087 -0.383 . . . . 0.0 111.546 -179.578 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.48 -39.13 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.26 -64.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.69 -8.11 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.9 m-20 61.29 32.99 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.235 0.54 . . . . 0.0 110.596 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -125.77 94.02 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.748 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.57 ' HB2' HG22 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -83.68 -23.6 31.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.128 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 109' ' ' VAL . . . -90.55 125.34 35.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.84 -164.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -88.36 130.28 35.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -28.83 65.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.4 -35.6 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.17 -53.35 44.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.0 -36.15 50.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -52.74 -59.15 4.84 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -67.49 -29.82 69.35 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.965 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -57.84 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.15 -42.64 68.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.728 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.78 -32.14 69.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.744 0.307 . . . . 0.0 111.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -69.6 -30.36 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.638 ' O ' HG12 ' A' ' 57' ' ' ILE . 33.5 pt -104.91 -8.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.55 -17.78 48.17 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.25 -28.35 47.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.1 pt-20 -98.3 -18.58 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.983 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 63' ' ' LEU . 34.1 mm -67.67 114.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.599 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -110.72 -13.19 14.22 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 m -129.73 130.31 45.28 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.697 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -27.86 63.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -51.93 -39.35 59.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.52 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.46 -51.98 17.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.777 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.587 HG23 HD21 ' B' ' 390' ' ' LEU . 83.5 mt -62.88 -36.56 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.391 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' O ' HG12 ' A' ' 69' ' ' ILE . 4.0 t30 -64.41 -55.05 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.498 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 70' ' ' ILE . 20.3 mmtp -57.85 -44.89 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.993 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.557 ' NZ ' HD11 ' A' ' 50' ' ' LEU . 2.1 tppt? -62.06 -44.94 95.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -62.7 -41.07 98.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 65' ' ' ASN . 49.1 mm -69.0 -51.26 45.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.538 HG21 HG21 ' A' ' 46' ' ' VAL . 7.7 tp -61.58 -41.07 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.87 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.75 -43.19 98.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -63.83 -41.95 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.585 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG21 HG21 ' A' ' 20' ' ' ILE . 74.9 t -64.24 -41.02 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.256 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -38.9 83.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.44 -35.76 81.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.635 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.772 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 45.2 ttm105 -72.35 -47.34 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.562 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -83.97 -15.62 47.12 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -124.4 -73.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.772 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 49.5 m-85 -50.98 -65.69 0.51 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.609 0.568 . . . . 0.0 111.534 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -70.15 -45.47 66.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.871 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 55.53 36.02 26.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.81 14.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.335 0.588 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.13 122.56 33.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.894 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.709 ' HB ' HG11 ' A' ' 109' ' ' VAL . 3.5 mt -90.46 132.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.349 179.645 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.07 122.89 47.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.134 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.709 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -125.35 139.19 51.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.065 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.489 HG12 ' HG ' ' A' ' 28' ' ' LEU . 7.7 p -110.54 155.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 113' ' ' ASN . 3.1 p-10 -62.94 152.49 83.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.653 ' HA ' HD13 ' A' ' 28' ' ' LEU . 50.7 Cg_endo -71.19 11.59 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.86 2.374 . . . . 0.0 112.675 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 111' ' ' ASN . 8.2 p30 -139.83 -156.83 0.71 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.9 t80 177.16 147.83 0.12 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.587 HD21 HG23 ' A' ' 64' ' ' ILE . 18.5 tp . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.91 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.236 0.541 . . . . 0.0 110.152 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.25 -36.23 77.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.106 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' B' ' 396' ' ' LYS . 1.4 mp -60.99 -35.58 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.838 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 394' ' ' ARG . 1.7 mmm180 -68.96 -29.43 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.429 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -36.5 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.476 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.578 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.777 0.322 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -61.37 -40.0 92.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -70.86 -40.68 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -60.3 -48.59 81.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 6.1 t -59.95 -34.77 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.647 0.26 . . . . 0.0 110.763 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 13.5 tpt180 -70.34 -39.1 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.93 -49.37 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.645 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 m -58.12 -30.65 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.72 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -63.97 -33.39 75.63 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.154 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.18 -37.83 86.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.094 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 24' ' ' ILE . 2.9 mm -59.59 -52.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.329 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.14 -43.51 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.75 -50.85 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' O ' HG22 ' A' ' 31' ' ' VAL . 43.2 t60 -62.32 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.823 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.35 -44.43 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 58.5 mtt180 -55.68 -42.33 75.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 111.09 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -72.08 -43.98 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.776 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 38' ' ' SER . 75.1 t -64.92 -46.59 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.182 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.818 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.2 pt-20 -61.34 -28.35 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 110.663 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.16 -38.87 56.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.29 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 37' ' ' GLU . 6.8 pt-20 -109.83 -13.5 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.818 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 24.0 t70 71.89 -34.4 0.3 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.036 0.534 . . . . 0.0 112.407 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 35' ' ' GLU . 60.3 mt-10 -105.33 89.41 3.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.574 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.512 ' HA ' HG11 ' A' ' 31' ' ' VAL . 56.6 p -57.09 -46.13 82.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.672 ' HB3' ' CD2' ' A' ' 107' ' ' TYR . . . 52.41 -150.08 0.34 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.726 ' H ' ' HD2' ' A' ' 107' ' ' TYR . 1.4 tp -56.0 116.65 3.11 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -170.03 32.66 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.934 178.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -61.12 -50.97 71.07 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 45.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.76 -40.24 94.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.434 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -49.13 66.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.15 0.5 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.787 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.8 t -72.93 -38.94 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.292 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 65.5 t30 -49.59 -58.83 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.8 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -67.74 -29.87 69.2 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.896 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CD1' HD13 ' A' ' 23' ' ' LEU . 23.2 t80 -61.2 -46.69 89.42 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.392 0.615 . . . . 0.0 109.778 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.851 HD21 ' HZ2' ' A' ' 67' ' ' LYS . 17.9 mt -69.03 -42.92 75.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 24.8 mmtp -56.21 -30.46 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.532 0.52 . . . . 0.0 111.393 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.11 -52.89 5.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.01 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.562 ' O ' HG12 ' A' ' 57' ' ' ILE . 26.5 pt -70.72 -23.08 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 17.0 pt-20 -62.85 -13.31 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -70.38 -27.17 64.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.815 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -105.42 -9.21 17.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.034 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.808 HG23 ' HB2' ' A' ' 62' ' ' GLU . 44.8 mm -76.89 119.36 25.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.422 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -116.71 -15.3 10.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.354 0.597 . . . . 0.0 110.029 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.465 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -117.58 145.75 44.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.772 -178.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HB2' ' HZ3' ' B' ' 396' ' ' LYS . 33.6 tt0 -62.22 -37.96 87.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.9 -37.55 76.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.386 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.808 ' HB2' HG23 ' A' ' 57' ' ' ILE . 24.9 mt-10 -63.24 -46.63 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.452 0.644 . . . . 0.0 109.986 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD23 HG12 ' B' ' 393' ' ' ILE . 7.4 tp -64.29 -44.44 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 96.7 mt -65.27 -44.63 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.726 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.7 -51.68 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.557 ' HG3' HD11 ' A' ' 53' ' ' ILE . 33.5 mmtm -58.56 -43.4 89.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.976 ' HD3' HD12 ' B' ' 390' ' ' LEU . 16.9 mttp -68.78 -32.12 71.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.316 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -75.95 -36.8 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.796 0.332 . . . . 0.0 111.377 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.7 mm -73.14 -43.01 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.741 0.305 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -60.86 -40.98 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.84 -28.88 64.92 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.194 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -67.41 -48.52 67.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.41 -38.98 82.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.944 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.77 -43.7 98.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 109.935 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.35 -36.6 84.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.467 0.651 . . . . 0.0 109.371 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.799 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 10.8 ttm180 -66.06 -40.46 90.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.855 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 59.1 tp -62.51 -29.15 70.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.48 HG23 HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.23 4.25 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -144.78 -70.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.865 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.799 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 62.2 m-85 -60.72 -55.33 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.813 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 74.8 m-20 -64.83 -45.84 84.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t60 61.99 19.83 11.07 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.162 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 ' HB3' ' A' ' 81' ' ' ASP . 7.4 m -101.51 18.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 122.096 -0.377 . . . . 0.0 110.965 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.724 HD21 HD12 ' A' ' 108' ' ' LEU . 1.4 tt -92.31 130.09 38.09 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.815 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 12.1 mt -96.05 132.35 40.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.245 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.176 0.512 . . . . 0.0 110.42 179.052 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.726 ' HD2' ' H ' ' A' ' 40' ' ' LEU . 77.1 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.592 0.234 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.724 HD12 HD21 ' A' ' 84' ' ' LEU . 1.3 mm? -95.82 119.88 35.09 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.22 0.533 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.815 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 2.1 t -118.04 160.4 17.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.084 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 77' ' ' LEU . 13.0 p -128.21 148.45 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.372 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -78.59 146.01 68.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.148 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.03 -22.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.78 2.32 . . . . 0.0 112.906 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -103.68 82.2 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.407 0.623 . . . . 0.0 110.522 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.408 ' HE1' HD12 ' A' ' 77' ' ' LEU . 60.3 t80 -80.6 140.8 35.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.191 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.976 HD12 ' HD3' ' A' ' 67' ' ' LYS . 1.4 tp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.879 0.371 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 35.9 mt-10 -62.55 -16.24 55.09 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.416 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.537 ' HD3' ' HE2' ' A' ' 51' ' ' LYS . 31.2 tpt180 -84.16 -23.98 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.318 0.58 . . . . 0.0 110.186 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.785 HG12 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -62.1 -33.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.403 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 12.1 ptp180 -62.31 -23.61 66.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -84.89 -31.93 23.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.436 ' HZ3' ' HB2' ' A' ' 60' ' ' GLU . 6.3 tmtt? . . . . . 0 C--O 1.234 0.274 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.175 178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -55.34 -48.59 73.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -39.87 95.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -58.54 -47.57 83.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 9.3 m -62.61 -36.75 83.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.505 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.3 tpt180 -65.9 -37.13 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.435 HD13 ' HD3' ' A' ' 66' ' ' LYS . 1.2 mp -76.49 -49.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.426 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.529 ' O ' HG23 ' A' ' 24' ' ' ILE . 6.0 m -61.67 -34.06 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.712 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 18' ' ' SER . 37.1 t30 -63.53 -32.62 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.974 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -57.4 -44.28 84.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.647 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 9.1 tp -67.62 -33.75 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.549 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -75.95 -45.69 36.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.994 0.426 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 34.9 mt -62.68 -48.84 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.255 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' O ' HG23 ' A' ' 31' ' ' VAL . 29.7 t60 -69.3 -36.55 77.12 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.106 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.0 -49.18 71.24 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.868 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.8 ptm180 -59.38 -31.83 69.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.673 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -72.16 -43.66 64.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.585 HG22 HD23 ' A' ' 40' ' ' LEU . 44.2 t -64.53 -46.51 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.192 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 3.3 pt-20 -63.25 -28.93 70.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -79.75 -31.98 41.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.002 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -81.54 -67.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.618 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 7.1 pt-20 -103.65 -17.46 15.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 16.4 t70 72.06 -8.1 1.2 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.978 0.418 . . . . 0.0 111.852 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.01 -39.07 79.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.256 0.551 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB3' HD12 ' A' ' 28' ' ' LEU . 7.2 m 60.95 19.53 9.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.515 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.57 104.87 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 HG22 ' A' ' 31' ' ' VAL . 1.5 mm? -107.25 -169.06 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.499 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB2' ' CB ' ' A' ' 44' ' ' GLU . 73.0 mmtt -97.81 141.35 30.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -57.33 -55.68 31.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.336 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -30.34 70.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.663 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' CB ' ' HB2' ' A' ' 41' ' ' LYS . 35.9 tt0 -59.05 -50.03 75.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.744 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.505 HD13 ' HE1' ' A' ' 48' ' ' TRP . 1.6 mm? -52.35 -47.47 66.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 111.425 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.82 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 24.2 t -72.85 -42.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -49.71 -56.78 8.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.727 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.505 ' HE1' HD13 ' A' ' 45' ' ' LEU . 50.9 p-90 -69.1 -28.11 66.2 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.043 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.515 ' CD1' HD11 ' A' ' 23' ' ' LEU . 26.2 t80 -62.38 -47.55 83.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 109.532 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.911 HD11 ' HE3' ' A' ' 67' ' ' LYS . 13.8 mt -64.41 -43.91 92.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.494 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 16.1 mmtt -59.04 -27.32 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.367 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.48 -50.88 8.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 57' ' ' ILE . 30.3 pt -68.38 -26.08 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.987 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.605 ' HG3' HD12 ' A' ' 63' ' ' LEU . 5.1 mt-10 -63.19 -15.86 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -85.14 -15.25 44.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 8.2 pt-20 -114.32 -31.07 6.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.616 0.246 . . . . 0.0 111.236 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.805 HG22 ' HB2' ' A' ' 63' ' ' LEU . 24.6 mm -62.36 118.56 4.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.215 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -108.47 -13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.186 0.517 . . . . 0.0 110.585 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 1.4 m -118.76 130.47 55.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.121 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.77 -36.13 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.739 -0.209 . . . . 0.0 111.287 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.65 -43.03 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.578 0.549 . . . . 0.0 110.073 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.4 mm-40 -62.58 -55.56 26.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.689 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.805 ' HB2' HG22 ' A' ' 57' ' ' ILE . 12.1 tp -59.51 -51.46 69.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.791 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.686 ' HA ' HD13 ' B' ' 390' ' ' LEU . 65.4 mt -56.9 -39.19 63.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.17 -49.45 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.709 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HD3' HD13 ' A' ' 20' ' ' ILE . 17.6 mmtp -56.55 -44.98 81.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.911 ' HE3' HD11 ' A' ' 50' ' ' LEU . 36.3 mttp -65.97 -32.92 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.28 -44.32 59.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -63.87 -49.81 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.267 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.619 HG22 HG12 ' A' ' 46' ' ' VAL . 9.2 tp -56.54 -41.91 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.527 0.203 . . . . 0.0 111.0 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.19 -44.82 75.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.12 0.486 . . . . 0.0 110.018 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.574 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.7 -43.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.514 ' HA ' HD21 ' A' ' 77' ' ' LEU . 97.0 mt -62.34 -40.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.13 0.491 . . . . 0.0 109.694 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.908 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.798 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 3.3 ttt180 -68.56 -44.5 74.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.58 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.699 HD11 HD22 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -65.51 -32.61 74.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.97 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.545 HG21 ' HG ' ' A' ' 84' ' ' LEU . 4.1 p -86.37 -1.42 57.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -135.23 -71.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.952 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.798 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.7 m-85 -61.27 -57.56 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.775 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.664 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 62.3 m-20 -67.19 -46.99 72.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.85 0.357 . . . . 0.0 110.069 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.56 33.07 11.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.445 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.47 10.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.235 0.54 . . . . 0.0 110.316 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.699 HD22 HD11 ' A' ' 77' ' ' LEU . 1.3 tm? -91.0 130.55 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.446 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.886 ' HB ' HG11 ' A' ' 109' ' ' VAL . 12.8 mt -98.04 120.4 47.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.819 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.068 179.548 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 108' ' ' LEU . 48.1 m-85 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 110.733 -0.099 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.515 HD13 HD11 ' A' ' 84' ' ' LEU . 1.6 mm? -120.05 122.43 41.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.666 0.27 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.886 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -137.62 138.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 111' ' ' ASN . 14.8 p -126.24 157.13 36.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.419 -0.176 . . . . 0.0 110.717 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 110' ' ' VAL . 26.4 p-10 -96.16 137.37 21.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.743 0.306 . . . . 0.0 110.193 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.55 -2.4 8.31 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.4 2.733 . . . . 0.0 113.095 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.99 -46.83 15.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 t80 53.91 -150.36 0.39 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.988 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.686 HD13 ' HA ' ' A' ' 64' ' ' ILE . 7.6 tp . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.1 -29.22 70.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.44 . . . . 0.0 110.94 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -60.13 -29.66 68.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.499 0.666 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.753 HD13 ' HD2' ' A' ' 67' ' ' LYS . 58.3 mt -61.77 -24.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.779 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -59.1 -36.46 75.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 0.0 110.42 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -92.48 -13.02 30.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.429 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 11.0 tttm . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.641 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.899 0.381 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -66.64 -44.39 82.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.32 -48.45 67.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.843 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.641 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 23.3 m-85 -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.762 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -66.02 -40.13 90.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.204 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -58.69 -48.76 80.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.549 ' CG2' HG22 ' A' ' 73' ' ' VAL . 1.4 mp -65.96 -46.67 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -58.6 -38.03 77.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.428 HD21 ' HA ' ' A' ' 22' ' ' ASN . 1.8 t-20 -64.78 -39.64 93.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 109.629 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.43 -38.4 80.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.512 178.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.526 ' N ' HD11 ' A' ' 23' ' ' LEU . 4.7 mm -63.11 -52.26 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.36 -36.18 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.587 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.1 mt -68.28 -50.52 53.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.468 ' O ' HG21 ' A' ' 31' ' ' VAL . 66.6 t60 -57.8 -47.78 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.652 HD21 HG11 ' A' ' 110' ' ' VAL . 39.3 tp -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.4 ptm180 -62.37 -32.26 73.03 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.659 0.266 . . . . 0.0 110.767 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.76 -43.99 62.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.184 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 27' ' ' HIS . 38.9 t -58.4 -53.37 47.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.743 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.3 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 111.193 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.42 -24.71 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -90.81 -61.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 37' ' ' GLU . 13.4 pt-20 -106.7 -1.89 22.24 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.8 m-20 65.53 12.81 8.47 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 21.3 mt-10 -122.53 92.88 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.581 0.229 . . . . 0.0 110.615 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.572 ' HB2' HG22 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.14 -15.44 62.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.514 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 107' ' ' TYR . . . -81.61 103.42 11.31 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.11 -163.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -95.92 142.99 27.5 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.983 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 74' ' ' ILE . 54.1 ttt180 -75.07 -44.32 48.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.546 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -60.79 -37.98 83.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 111.067 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.81 -32.25 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.8 t -71.99 -35.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.536 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -55.9 -58.07 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.68 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.4 ' HZ2' ' HB2' ' A' ' 27' ' ' HIS . 27.7 p-90 -67.64 -29.33 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.992 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t80 -59.4 -50.55 73.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.145 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' ' 67' ' ' LYS . 14.5 mt -62.73 -40.64 97.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.193 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -28.61 68.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.089 0.471 . . . . 0.0 111.438 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.25 -41.72 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.592 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.647 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.4 pt -73.69 -25.47 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.28 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.576 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 7.7 pt-20 -59.27 -21.84 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.698 0.285 . . . . 0.0 111.476 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -68.42 -19.72 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.707 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 -116.74 -6.35 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.772 HD12 ' HB3' ' A' ' 62' ' ' GLU . 23.5 mm -84.64 108.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -17.21 20.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.259 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -120.8 134.79 55.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.244 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.44 72.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.471 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -56.29 -40.29 74.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.281 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.772 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.3 mm-40 -62.58 -50.37 71.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.748 ' HB2' HG22 ' A' ' 57' ' ' ILE . 34.9 tp -61.53 -35.84 78.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.715 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' B' ' 390' ' ' LEU . 87.9 mt -69.95 -45.76 75.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.103 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.02 -48.02 82.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.078 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -59.15 -36.38 75.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.808 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HD2' HD11 ' B' ' 390' ' ' LEU . 0.8 OUTLIER -68.05 -38.75 82.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.417 . . . . 0.0 110.343 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -64.43 -45.19 88.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.911 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -50.46 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.606 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.547 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -58.2 -40.45 77.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.586 0.231 . . . . 0.0 111.401 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.31 -41.0 67.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 0.0 110.061 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.59 -47.46 86.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.504 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.549 HG22 ' CG2' ' A' ' 20' ' ' ILE . 32.0 m -64.09 -36.23 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.124 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 70' ' ' ILE . 76.8 mt -69.71 -36.24 69.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -68.26 -38.04 81.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.599 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 25.4 ttp180 -67.7 -41.01 84.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 41.1 tp -63.1 -41.77 99.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.481 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.761 HG22 HD12 ' A' ' 84' ' ' LEU . 7.7 p -80.33 4.69 17.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -139.09 -69.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.624 -0.43 . . . . 0.0 112.006 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.599 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 83.6 m-85 -64.64 -56.6 12.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.689 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -57.98 -50.54 73.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.62 19.18 11.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.46 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 115' ' ' LEU . 15.8 m -97.52 20.8 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.708 0.766 . . . . 0.0 110.253 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.761 HD12 HG22 ' A' ' 78' ' ' THR . 1.3 pt? -90.89 153.64 20.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.86 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.88 ' HB ' HG13 ' A' ' 109' ' ' VAL . 11.3 mt -124.08 136.92 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.696 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 42.6 m-85 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.616 0.246 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 125.06 46.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.149 0.499 . . . . 0.0 110.973 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.88 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -136.76 142.9 36.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.705 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.652 HG11 HD21 ' A' ' 28' ' ' LEU . 10.9 p -115.77 146.97 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -67.95 142.33 95.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.358 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.13 -10.83 22.3 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.086 2.524 . . . . 0.0 112.785 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -69.92 -78.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.103 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.3 t80 65.99 142.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.621 0.724 . . . . 0.0 112.251 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.52 HD13 HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.896 HD11 ' HD2' ' A' ' 67' ' ' LYS . 1.2 tp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.01 -29.02 70.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.189 0.519 . . . . 0.0 110.513 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -65.45 -28.17 69.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.5 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . . . . . . . . . 12.8 mm -68.41 -23.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.213 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 394' ' ' ARG . 55.5 mtt85 -62.88 -28.67 70.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.56 -29.21 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.543 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 -179.8 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -25.85 64.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG2' HD22 ' A' ' 65' ' ' ASN . 1.7 mp0 -64.84 -44.09 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.884 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.08 -40.82 86.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -61.79 -40.11 94.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.912 0.387 . . . . 0.0 110.374 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.436 HG22 HG23 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -63.25 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.645 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -64.45 -35.02 79.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 18' ' ' SER . 27.7 t30 -62.18 -36.26 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.12 -37.49 80.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.883 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 24' ' ' ILE . 4.2 mm -62.93 -53.15 50.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.871 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.41 -39.87 72.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.402 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 30.7 mt -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.609 0.243 . . . . 0.0 111.507 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.501 ' HD2' HD22 ' A' ' 40' ' ' LEU . 72.3 t60 -66.58 -41.05 89.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 38' ' ' SER . 2.4 tm? -60.33 -50.78 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.269 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.633 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 4.5 ptm180 -66.5 -30.06 70.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.421 . . . . 0.0 111.188 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -68.13 -48.91 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.56 -32.51 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.484 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.65 -28.73 61.93 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.574 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -89.03 -44.31 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -84.33 -64.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 0.0 111.945 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -75.6 -14.56 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.762 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.1 t0 58.1 32.75 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -143.18 104.96 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.51 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.584 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.6 m -74.78 3.85 7.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.104 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.87 116.48 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.349 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 27' ' ' HIS . 1.1 pp -126.22 160.75 29.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -89.83 120.77 31.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.55 -40.5 71.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.072 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -71.23 -32.97 69.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.97 0.414 . . . . 0.0 110.898 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -76.01 -36.1 59.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 HD23 HD12 ' A' ' 74' ' ' ILE . 39.4 tp -56.21 -49.46 74.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.574 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.763 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.7 t -71.11 -32.26 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -54.31 -60.56 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.992 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.404 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 58.4 p-90 -67.24 -28.8 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.338 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.447 ' CD1' HD12 ' A' ' 23' ' ' LEU . 21.5 t80 -60.52 -45.5 93.58 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -71.84 -42.3 67.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.004 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -59.01 -27.28 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.904 0.383 . . . . 0.0 111.145 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 60.0 mm-40 -85.02 -48.85 8.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.684 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.8 pt -70.54 -27.44 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.941 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 7.5 pt-20 -60.12 -22.28 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -72.92 -22.18 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.58 -17.28 13.77 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.873 HG23 ' HB2' ' A' ' 63' ' ' LEU . 31.8 mm -70.37 107.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.29 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.27 -7.38 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -124.77 130.34 52.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.425 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.99 -36.28 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.99 -34.85 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.067 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.762 ' HB3' HD13 ' A' ' 57' ' ' ILE . 7.3 mm-40 -64.25 -49.3 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.501 0.667 . . . . 0.0 109.897 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.961 ' HG ' ' HZ2' ' A' ' 67' ' ' LYS . 13.0 tp -64.67 -44.69 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.38 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.85 -44.62 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.41 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.4 HD22 ' HG2' ' A' ' 16' ' ' GLU . 3.2 t30 -63.99 -50.71 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.287 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -56.93 -42.32 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.627 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.961 ' HZ2' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -70.54 -37.66 74.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.624 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -59.93 -41.55 92.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.045 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.436 HG23 HG22 ' A' ' 20' ' ' ILE . 36.4 mt -72.71 -50.22 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.387 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.678 HG21 ' HA ' ' A' ' 67' ' ' LYS . 10.4 tp -59.81 -39.44 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -36.74 73.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.19 -50.83 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.652 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.65 -36.99 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.972 ' HA ' HD22 ' A' ' 77' ' ' LEU . 74.8 mt -68.6 -47.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -63.7 -36.2 83.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.353 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.753 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 11.2 ttt180 -71.07 -46.19 62.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.972 HD22 ' HA ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -55.75 -34.08 64.88 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.52 HG21 ' O ' ' A' ' 74' ' ' ILE . 1.3 t -92.13 -36.86 13.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -85.21 -72.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 38.9 m-85 -65.4 -51.31 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.073 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -74.65 -33.37 62.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m170 58.84 36.63 24.79 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.069 0.938 . . . . 0.0 108.54 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.695 ' CG1' ' HG3' ' A' ' 112' ' ' PRO . 1.0 OUTLIER -91.04 -13.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 113.812 -1.54 . . . . 0.0 111.431 -177.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.479 HD13 HD12 ' A' ' 77' ' ' LEU . 20.2 tp -89.16 141.04 28.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.323 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.899 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.6 mp -108.26 136.37 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD13 HD22 ' A' ' 84' ' ' LEU . 68.7 mt -96.25 136.53 36.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 112.476 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.899 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -145.93 142.47 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.005 178.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.457 HG22 ' HD3' ' A' ' 112' ' ' PRO . 3.3 p -125.63 103.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.523 HD22 HD13 ' A' ' 28' ' ' LEU . 18.6 m120 -143.91 70.1 16.7 Favored Pre-proline 0 CA--C 1.507 -0.69 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.417 176.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.695 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 23.7 Cg_endo -94.82 11.75 1.59 Allowed 'Trans proline' 0 N--CA 1.442 -1.549 0 N-CA-C 107.117 -1.916 . . . . 0.0 107.117 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 60.16 55.53 3.64 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -35.85 130.51 0.59 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 112.54 -2.118 . . . . 0.0 113.007 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.617 ' H ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.846 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.564 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 15.2 tp . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.518 0.199 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.602 ' HG3' ' HD3' ' B' ' 394' ' ' ARG . 31.7 tt0 -64.59 -24.28 67.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.065 0.46 . . . . 0.0 110.009 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.486 HH22 ' CD ' ' A' ' 54' ' ' GLU . 58.1 ttt180 -61.63 -28.97 69.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 109.637 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.5 mp -61.22 -31.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.981 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.602 ' HD3' ' HG3' ' B' ' 391' ' ' GLU . 19.4 mtp180 -70.11 -25.41 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -90.25 -39.15 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.457 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.318 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 10.5 p90 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -60.33 -48.21 82.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.02 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.41 -34.46 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.238 0.542 . . . . 0.0 109.753 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 63.6 m-85 -62.11 -49.25 76.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.799 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 m -54.89 -43.21 73.0 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.414 0.446 . . . . 0.0 111.704 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 19.5 mmm-85 -62.21 -49.67 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.182 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.46 HG21 HG21 ' A' ' 73' ' ' VAL . 1.7 mp -66.54 -45.85 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 m -57.08 -42.49 80.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.47 -37.55 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -59.59 -41.21 89.75 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -63.37 -47.99 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.185 179.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.77 -50.86 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.326 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.98 -50.84 71.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -66.11 -35.57 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.705 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -45.95 88.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -59.78 -36.55 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.281 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.48 -55.55 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.19 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.96 -38.64 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.676 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -67.22 -31.99 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 111.341 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.43 -31.73 42.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.781 0.324 . . . . 0.0 110.977 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -88.82 -66.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -101.54 -16.99 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 32.8 t70 64.15 32.18 12.79 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.43 0.633 . . . . 0.0 109.961 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -145.73 111.11 5.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.868 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -106.85 13.08 28.23 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.788 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.661 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -83.86 154.44 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.669 0.271 . . . . 0.0 111.619 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.81 86.19 0.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -175.17 29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.537 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -57.59 -62.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.793 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -79.61 -31.3 41.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.12 -40.8 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.525 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 74' ' ' ILE . 16.2 tp -54.83 -56.37 20.19 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.516 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.64 -32.63 55.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -59.29 -57.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.726 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -67.54 -35.12 78.46 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.637 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.4 ' O ' HG12 ' A' ' 53' ' ' ILE . 15.9 t80 -52.13 -51.4 58.15 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.174 0.511 . . . . 0.0 110.934 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.853 HD11 ' HE2' ' A' ' 67' ' ' LYS . 5.8 mt -75.67 -42.74 50.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.691 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.65 -30.96 69.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -78.6 -36.87 43.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.623 0.249 . . . . 0.0 111.168 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.5 pt -90.9 -7.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mt-10 -56.06 -18.31 9.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 111.696 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -36.89 74.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.356 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.42 -15.95 28.12 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.36 0.6 . . . . 0.0 109.502 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 62' ' ' GLU . 33.5 mm -81.91 89.31 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.409 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.9 -9.57 45.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.732 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.9 t -119.54 141.78 48.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -60.88 -37.1 81.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.9 -39.45 77.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.657 ' HB3' HD11 ' A' ' 57' ' ' ILE . 6.0 mm-40 -63.26 -45.38 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.592 ' HB2' HG22 ' A' ' 57' ' ' ILE . 23.3 tp -66.65 -44.47 81.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.568 ' HA ' HD12 ' B' ' 390' ' ' LEU . 61.2 mt -64.29 -37.46 79.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.113 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.2 -55.1 20.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.582 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.48 ' O ' HG21 ' A' ' 70' ' ' ILE . 6.2 mmtm -61.74 -47.44 85.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.853 ' HE2' HD11 ' A' ' 50' ' ' LEU . 12.6 ttmm -62.08 -48.34 80.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.496 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.555 ' HA ' ' HG2' ' A' ' 71' ' ' GLU . 68.5 mtt180 -63.75 -24.94 67.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.3 mm -78.92 -47.56 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.771 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' HA ' HG23 ' A' ' 73' ' ' VAL . 5.7 tp -70.65 -36.87 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 68' ' ' ARG . 13.8 pt-20 -68.33 -34.31 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 110.111 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -74.11 -47.02 39.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 70' ' ' ILE . 27.2 m -61.04 -36.61 73.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.932 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 45' ' ' LEU . 70.1 mt -64.91 -44.02 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.891 0.377 . . . . 0.0 110.463 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.03 -36.17 74.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.16 0.505 . . . . 0.0 109.93 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -70.64 -35.96 73.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.786 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.98 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 62.0 tp -58.42 -43.04 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.979 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.63 4.92 26.33 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -134.7 -50.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -102.14 -41.81 6.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.98 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 11.0 m-20 -64.05 -49.77 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 24.7 m80 68.27 19.65 8.97 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 0.0 111.164 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.728 HG23 ' HA ' ' A' ' 114' ' ' TYR . 51.6 t -85.73 -16.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.77 0.795 . . . . 0.0 110.143 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 108' ' ' LEU . 8.6 tt -90.84 136.4 33.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.002 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.794 ' HB ' HG12 ' A' ' 109' ' ' VAL . 5.1 mp -102.02 131.34 50.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.466 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 120.838 0.352 . . . . 0.0 110.612 179.664 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.744 0.307 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 84' ' ' LEU . 54.6 mt -92.6 118.99 31.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 120.924 0.392 . . . . 0.0 110.646 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.794 HG12 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -121.08 146.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.724 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.56 146.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.581 0.229 . . . . 0.0 110.99 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.49 158.21 36.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.423 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.78 -2.68 8.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.088 2.525 . . . . 0.0 113.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -85.35 23.81 1.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.767 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.728 ' HA ' HG23 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -64.1 -52.5 58.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.02 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 67' ' ' LYS . 2.3 tp . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.36 -24.88 63.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.416 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -66.34 -30.32 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.558 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 8.3 mt -66.55 -21.42 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.473 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' B' ' 394' ' ' ARG . 3.5 mmp_? -65.04 -26.78 68.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.024 0.44 . . . . 0.0 110.182 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.32 -23.74 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.387 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -39.84 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.143 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.42 -40.48 81.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.37 -45.84 83.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -58.93 -42.02 88.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.76 -49.34 77.89 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.034 0.445 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.99 -46.06 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.608 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 m -56.7 -41.76 77.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.58 -45.85 88.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.747 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.576 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.16 -40.41 81.31 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.282 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' HD11 ' A' ' 23' ' ' LEU . 2.5 mm -62.88 -52.37 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.767 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 m -71.14 -36.36 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.608 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 20.5 mt -61.84 -51.1 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.644 0.259 . . . . 0.0 111.297 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.514 ' O ' HG21 ' A' ' 31' ' ' VAL . 16.6 t-80 -64.35 -44.53 91.2 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HG ' HG13 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -60.55 -46.77 88.98 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.8 ptm180 -63.76 -32.87 74.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.626 0.251 . . . . 0.0 111.141 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.52 -39.65 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 0.0 109.45 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.893 HG23 HD12 ' A' ' 40' ' ' LEU . 45.1 t -63.57 -51.78 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.078 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.9 pt-20 -63.15 -28.35 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.746 0.308 . . . . 0.0 111.301 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.76 -47.22 55.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.432 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -95.21 -68.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 13.1 mt-10 -67.2 -35.18 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.59 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.5 t70 76.98 -30.22 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 111.246 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 35' ' ' GLU . 41.3 mt-10 -86.14 82.62 8.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.402 ' HA ' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -72.7 33.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.117 -179.093 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.38 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.893 HD12 HG23 ' A' ' 31' ' ' VAL . 5.4 mt 57.99 -136.68 0.95 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.957 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLU . 8.2 tptm -141.25 134.96 30.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.491 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -54.57 -49.88 69.31 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -71.27 -28.5 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.604 0.24 . . . . 0.0 111.08 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.637 ' HB2' ' HB3' ' A' ' 41' ' ' LYS . 19.6 tt0 -66.07 -34.74 78.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.051 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 46.9 mt -58.09 -50.16 74.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.087 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.784 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.58 -33.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.571 179.211 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -49.76 -59.2 4.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -70.03 -29.23 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.421 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -57.43 -47.84 80.71 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.976 HD21 ' HG2' ' A' ' 67' ' ' LYS . 1.9 mt -66.22 -40.61 90.42 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.142 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HE2' ' NH1' ' B' ' 392' ' ' ARG . 17.7 mmtt -58.18 -31.39 67.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.402 0.62 . . . . 0.0 111.655 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -85.94 -43.73 12.96 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.068 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 57' ' ' ILE . 32.2 pt -77.16 -20.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.754 0.311 . . . . 0.0 111.426 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 14.4 pt-20 -69.26 -9.17 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.164 0.506 . . . . 0.0 111.459 -178.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -81.22 -22.9 38.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.067 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.85 -29.52 10.46 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.779 HG22 ' HB2' ' A' ' 63' ' ' LEU . 47.7 mm -59.42 111.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.254 0.55 . . . . 0.0 111.64 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -108.65 -17.14 14.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.132 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -114.16 130.32 56.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.375 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.636 ' HG2' HD11 ' A' ' 64' ' ' ILE . 28.7 tt0 -53.84 -38.86 65.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.366 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -58.06 -39.4 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.718 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.41 -44.21 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.527 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.779 ' HB2' HG22 ' A' ' 57' ' ' ILE . 12.0 tp -63.6 -48.17 78.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.243 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.636 HD11 ' HG2' ' A' ' 60' ' ' GLU . 51.7 mt -59.35 -40.96 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.834 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.485 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.1 t30 -60.64 -57.02 14.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.542 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' ILE . 38.2 mmtm -56.23 -47.26 78.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.976 ' HG2' HD21 ' A' ' 50' ' ' LEU . 76.5 mttt -65.86 -34.64 78.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -74.38 -38.27 63.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.67 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 65' ' ' ASN . 41.2 mm -68.46 -49.54 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.392 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.473 HG12 ' HB ' ' A' ' 46' ' ' VAL . 7.7 tp -58.64 -44.44 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.526 0.203 . . . . 0.0 110.866 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.14 -44.71 94.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 110.057 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.6 -44.99 85.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.903 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 69' ' ' ILE . 93.1 t -63.06 -42.66 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.449 ' HA ' HD21 ' A' ' 77' ' ' LEU . 97.5 mt -60.89 -43.63 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -65.97 -37.1 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.43 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.592 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 13.2 ttm180 -70.65 -41.58 71.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.49 -33.48 76.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.763 HG23 ' HG ' ' A' ' 84' ' ' LEU . 8.4 p -86.76 4.23 41.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -60.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.592 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 74.5 m-85 -72.98 -55.67 6.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.875 0.369 . . . . 0.0 111.585 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.765 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.61 -45.56 89.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.779 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 65.25 26.21 12.24 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.378 0.608 . . . . 0.0 110.473 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 81' ' ' ASP . 26.9 m -94.97 13.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.559 0.695 . . . . 0.0 109.877 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.763 ' HG ' HG23 ' A' ' 78' ' ' THR . 1.3 tm? -90.28 126.57 35.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.797 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.825 ' HB ' HG11 ' A' ' 109' ' ' VAL . 3.0 mt -97.73 126.1 50.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.094 178.733 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.47 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 53.8 m-85 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.577 0.227 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 84' ' ' LEU . 1.4 mm? -104.74 124.3 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.158 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -137.67 139.3 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.504 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.529 HG13 ' HG ' ' A' ' 28' ' ' LEU . 3.9 p -102.5 143.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.825 0.345 . . . . 0.0 111.238 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.08 149.16 82.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.592 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.13 1.61 7.03 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.46 2.107 . . . . 0.0 111.387 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.19 90.01 3.25 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.467 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.429 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 8.7 t80 -106.59 130.73 54.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 121.139 0.495 . . . . 0.0 111.486 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' B' ' 393' ' ' ILE . 1.1 mp . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 98.6 mt-10 -64.17 -13.2 46.86 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 111.566 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.661 ' NH1' ' HE2' ' A' ' 51' ' ' LYS . 25.5 ttm180 -84.32 -20.78 31.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.603 0.716 . . . . 0.0 110.09 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.613 HD13 ' HG ' ' B' ' 390' ' ' LEU . 10.7 mt -69.2 -33.46 58.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.094 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 13.2 ptp180 -59.65 -23.59 63.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.574 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -83.23 -31.97 26.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' B' ' 396' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.006 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.6 -39.37 87.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' HG3' HD22 ' A' ' 65' ' ' ASN . 12.3 mp0 -55.54 -50.98 68.59 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.328 0.585 . . . . 0.0 109.681 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -58.48 -46.3 86.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.724 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -56.17 -45.97 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.687 0.279 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -67.47 -32.96 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.388 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.14 -51.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' HG21 ' A' ' 25' ' ' VAL . 13.7 m -59.27 -37.45 77.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.13 -36.62 75.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.77 -48.15 80.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.437 ' CG1' HG13 ' A' ' 110' ' ' VAL . 10.7 tp -70.93 -38.18 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.207 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 21' ' ' SER . 59.8 t -66.56 -47.04 84.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.421 . . . . 0.0 110.059 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.08 -40.31 90.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.123 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -61.82 -41.58 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HA ' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.38 -45.38 69.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.581 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 85.1 mtt180 -58.67 -34.09 70.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.033 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -71.85 -46.68 57.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG21 ' HA ' ' A' ' 28' ' ' LEU . 25.9 m -73.4 -33.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.751 ' HA ' ' H ' ' A' ' 37' ' ' GLU . 5.5 pt-20 -69.52 -29.31 66.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.46 -39.63 52.75 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.028 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -88.34 -69.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' HB2' ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -97.05 4.19 51.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.5 m-20 60.19 66.07 1.01 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.634 0.584 . . . . 0.0 111.921 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.751 ' H ' ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt-10 69.26 98.64 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.666 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.498 ' OG ' ' HB2' ' A' ' 35' ' ' GLU . 8.4 m -108.16 16.39 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.78 -159.76 0.31 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.812 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 169.39 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.856 ' HB3' ' HB3' ' A' ' 44' ' ' GLU . 39.0 ttmt -108.32 138.13 45.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 74' ' ' ILE . 50.8 ttt180 -52.23 -61.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 2.5 m -73.82 -30.15 62.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.856 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 37.1 tt0 -64.64 -42.95 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.276 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -50.57 -53.53 29.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 O-C-N 123.471 0.482 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.814 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.64 -37.46 56.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.566 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' SER . 53.3 t30 -52.26 -53.12 47.91 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -70.24 -28.62 65.39 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.651 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' CD1' HD12 ' A' ' 23' ' ' LEU . 36.0 t80 -60.6 -49.57 77.01 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.814 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 10.2 mt -59.92 -47.53 85.41 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.124 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HE2' ' HE ' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -55.42 -28.51 54.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -82.85 -37.63 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.689 ' O ' HG12 ' A' ' 57' ' ' ILE . 29.4 pt -90.78 -21.1 6.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.816 ' HG2' HD23 ' A' ' 63' ' ' LEU . 56.7 mt-10 -60.42 -21.99 62.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -29.54 40.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.49 -35.34 12.34 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.054 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.909 HG23 ' HB2' ' A' ' 63' ' ' LEU . 41.1 mm -56.5 118.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.186 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.55 -24.6 14.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.591 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.1 m -113.59 129.57 56.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.363 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.59 -36.87 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.487 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.02 -49.08 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.444 0.465 . . . . 0.0 111.092 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' HB2' HG21 ' A' ' 57' ' ' ILE . 65.7 mm-40 -59.83 -50.58 73.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.909 ' HB2' HG23 ' A' ' 57' ' ' ILE . 11.4 tp -63.08 -52.84 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.642 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.68 HG12 HD21 ' B' ' 390' ' ' LEU . 46.6 mt -57.49 -38.5 63.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 123.319 0.387 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.527 HD22 ' HG3' ' A' ' 16' ' ' GLU . 1.6 t30 -64.31 -47.35 79.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.074 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -58.65 -41.39 85.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.831 ' HD2' HD11 ' B' ' 390' ' ' LEU . 43.8 mttt -68.29 -32.06 71.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 29.7 mtm180 -68.67 -41.7 78.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.0 mm -72.16 -44.32 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.595 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.1 tp -64.04 -41.62 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -32.01 68.9 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.062 -0.399 . . . . 0.0 110.311 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.83 -46.76 70.9 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.35 -39.71 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.657 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' A' ' 42' ' ' ARG . 73.1 mt -66.24 -45.88 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -64.8 -32.17 73.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.475 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.756 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -75.15 -45.86 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.429 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -57.08 -46.59 82.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.273 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.587 ' HA ' HD21 ' A' ' 84' ' ' LEU . 10.9 t -82.45 4.45 24.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -138.03 -69.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.392 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.756 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 94.1 m-85 -66.04 -44.75 83.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 29.1 m-20 -79.81 -53.63 6.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.812 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t60 64.91 26.18 12.8 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.9 13.6 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.929 0.871 . . . . 0.0 110.123 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.587 HD21 ' HA ' ' A' ' 78' ' ' THR . 2.3 pt? -94.42 163.05 13.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.585 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.805 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.0 mt -123.75 144.29 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.551 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 84' ' ' LEU . 1.8 mm? -102.77 127.8 49.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.09 0.472 . . . . 0.0 110.77 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.805 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -127.91 139.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.437 HG13 ' CG1' ' A' ' 24' ' ' ILE . 10.6 p -105.21 142.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.906 0.384 . . . . 0.0 111.111 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' HD2' ' A' ' 112' ' ' PRO . 61.5 t30 -75.77 126.28 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.442 ' HD2' ' OD1' ' A' ' 111' ' ' ASN . 12.7 Cg_endo -56.79 -16.64 20.49 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.982 2.455 . . . . 0.0 112.371 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.74 61.67 6.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.99 142.59 30.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.839 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.544 0.211 . . . . 0.0 111.3 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.831 HD11 ' HD2' ' A' ' 67' ' ' LYS . 2.1 tp . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.414 0.149 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.86 -29.98 56.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.375 0.607 . . . . 0.0 110.592 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.442 ' HE ' ' HE2' ' A' ' 51' ' ' LYS . 1.9 tpp180 -63.61 -41.36 98.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.074 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.54 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 9.8 mt -66.92 -26.73 37.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.938 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.38 -37.9 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.28 -32.81 29.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.168 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 39.7 tttp . . . . . 0 C--O 1.231 0.123 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.661 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.723 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 19.1 p90 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -56.99 -39.33 74.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.461 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.3 pm0 -74.71 -32.28 62.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.723 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 30.9 m-85 -67.17 -40.23 86.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.019 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -59.49 -40.27 86.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.76 -51.02 68.74 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.84 -47.91 91.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.037 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -64.15 -37.01 85.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 109.851 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.553 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.79 -40.78 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.696 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.5 mm -60.59 -52.43 61.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.484 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.66 -35.88 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 11.4 mt -59.08 -48.54 81.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.1 t-80 -70.14 -42.9 71.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 HD22 HG11 ' A' ' 110' ' ' VAL . 59.7 tp -60.01 -49.78 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.6 ptm180 -57.66 -32.26 67.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.119 0.485 . . . . 0.0 111.172 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 3.0 mmmp? -73.15 -47.3 45.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 27' ' ' HIS . 76.1 t -59.41 -46.77 92.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.854 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.65 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 12.8 pt-20 -64.98 -27.96 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.276 . . . . 0.0 111.073 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -71.87 -46.3 58.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.603 0.24 . . . . 0.0 111.389 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.634 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 2.2 pt-20 -89.41 -69.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.634 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 38.8 mt-10 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.65 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 12.9 t70 71.69 -27.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' GLU . 30.7 mt-10 -75.89 -11.39 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.159 -0.338 . . . . 0.0 111.873 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 31' ' ' VAL . 67.1 m 61.05 17.15 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.11 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -84.0 136.89 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.679 0.276 . . . . 0.0 110.293 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.74 175.68 10.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.935 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' A' ' 44' ' ' GLU . 28.8 mtmt -107.64 150.76 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.64 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' NH2' ' HA ' ' A' ' 75' ' ' HIS . 46.3 mtp180 -73.25 -59.17 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.183 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -28.89 67.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 37.9 tt0 -66.11 -39.16 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.564 0.221 . . . . 0.0 110.508 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.02 -52.82 59.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.767 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.2 p -72.71 -35.51 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.575 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -52.28 -56.52 14.2 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 37.0 p-90 -71.14 -28.19 64.1 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' HG12 ' A' ' 53' ' ' ILE . 32.8 t80 -57.0 -46.03 82.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 2.8 mt -71.34 -44.11 65.72 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.834 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 20.6 mmtt -54.07 -29.7 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -84.66 -44.91 13.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.9 pt -91.35 -11.44 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.7 pt-20 -67.26 -14.67 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.753 -0.592 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -23.73 24.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.038 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 53' ' ' ILE . 4.8 pt-20 -96.58 -20.72 18.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 63' ' ' LEU . 9.2 mm -63.85 112.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.737 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -93.32 -17.73 23.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.202 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -122.63 129.7 52.17 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.69 ' O ' HG12 ' A' ' 64' ' ' ILE . 6.2 tt0 -53.36 -38.73 63.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.304 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.95 -34.17 74.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.842 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.544 ' HB3' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.59 -49.22 78.6 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.675 ' HB2' HG21 ' A' ' 57' ' ' ILE . 7.9 tp -61.18 -46.15 91.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.255 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 60' ' ' GLU . 6.6 mm -57.06 -52.48 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 109.849 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -50.03 75.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -56.85 -45.63 82.3 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.661 ' HA ' HG23 ' A' ' 70' ' ' ILE . 8.3 mtpm? -65.42 -44.76 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.521 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 68' ' ' ARG . 35.6 ttt180 -54.46 -36.86 64.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.39 -50.81 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.6 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.661 HG23 ' HA ' ' A' ' 67' ' ' LYS . 9.7 tp -58.88 -40.85 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 24.0 mt-10 -75.45 -31.68 60.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.772 -0.58 . . . . 0.0 110.404 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -68.82 -44.67 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.005 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.3 -33.46 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.57 -35.93 74.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.479 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 4.5 t60 -71.44 -35.09 70.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.534 ' HG3' ' HB2' ' A' ' 80' ' ' TYR . 16.9 ttm180 -68.21 -42.29 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.871 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -54.94 -38.16 67.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.768 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -12.76 60.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -124.38 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.411 -0.516 . . . . 0.0 112.099 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.534 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 89.5 m-85 -55.89 -54.51 43.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.298 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.3 m-20 -70.13 -54.16 14.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.058 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 64.78 24.06 12.78 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.66 0.6 . . . . 0.0 111.218 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 81' ' ' ASP . 19.8 m -91.29 11.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.139 0.495 . . . . 0.0 110.595 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 77' ' ' LEU . 5.5 tp -97.33 127.52 43.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.378 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.901 ' HB ' HG13 ' A' ' 109' ' ' VAL . 9.3 mt -94.0 127.8 45.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.319 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 -179.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 85.4 mt -110.2 132.93 53.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.723 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.901 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.68 138.54 53.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 28' ' ' LEU . 8.1 p -109.01 141.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.959 0.409 . . . . 0.0 110.596 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.2 m-20 -84.22 139.12 39.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.284 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 16.5 Cg_exo -68.26 0.99 3.88 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.258 2.639 . . . . 0.0 113.169 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -85.99 20.59 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -63.22 124.75 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.509 ' H ' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.545 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 17.3 tp . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 3.4 tt0 -66.73 -23.08 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -67.83 -21.59 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.451 0.643 . . . . 0.0 109.647 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.547 ' HA ' ' HG2' ' B' ' 396' ' ' LYS . 1.6 mp -65.4 -42.36 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 2.1 ptm180 -71.15 -17.94 62.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.956 0.408 . . . . 0.0 110.439 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.24 -37.33 18.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.337 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.848 0.356 . . . . 0.0 111.422 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -54.16 -41.55 68.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.531 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.04 -41.73 70.42 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 24.4 t80 -58.49 -41.34 85.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.031 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.1 m -61.68 -36.84 82.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.05 -47.13 81.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.314 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.28 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -58.38 -44.77 89.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.67 -42.38 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.24 -42.06 85.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.865 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.552 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -61.94 -47.19 94.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.23 -49.51 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.05 -46.67 88.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.469 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -59.85 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.2 tm? -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -56.37 -44.65 80.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.07 0.462 . . . . 0.0 110.603 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 9.5 mmmm -69.76 -41.01 75.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 HD13 ' A' ' 40' ' ' LEU . 41.1 t -63.66 -45.91 96.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.17 -28.33 65.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -85.55 -39.54 17.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -88.75 -61.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.68 -29.26 36.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 70.06 16.82 7.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -134.39 95.12 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.589 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.634 ' HB2' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -74.08 13.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.322 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 99.01 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.04 -173.91 3.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 0.0 111.717 -179.068 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -92.16 129.82 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.481 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.75 -40.72 98.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.936 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -66.61 -28.65 68.67 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.998 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -72.78 -34.98 67.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.96 -45.41 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.689 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 26.1 t -70.93 -35.89 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.328 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -55.59 -58.0 9.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.44 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -69.77 -28.87 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.663 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 18.5 t80 -58.45 -49.04 78.75 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 13.2 mt -64.17 -41.44 97.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.718 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 22.8 mmtt -61.05 -38.7 87.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.849 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.16 -35.65 64.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.676 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.3 pt -88.79 -8.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.62 -30.0 60.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.777 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -23.59 44.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.112 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 11.6 pt-20 -91.81 -20.11 21.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 0.0 110.258 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.676 HG12 ' O ' ' A' ' 53' ' ' ILE . 44.3 mm -67.29 109.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -102.3 -15.5 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.901 0.857 . . . . 0.0 109.097 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.55 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 22.8 t -137.23 135.51 37.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.756 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' OE2' ' HA ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.295 -179.6 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.85 -33.64 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.55 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 31.1 mt-10 -69.63 -49.0 57.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.132 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB2' HG23 ' A' ' 57' ' ' ILE . 20.1 tp -64.03 -45.38 89.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.641 ' HA ' HD21 ' B' ' 390' ' ' LEU . 40.3 mt -63.88 -34.16 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.746 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -47.83 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -57.42 -43.6 83.94 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.304 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.524 ' HE2' ' CD1' ' A' ' 50' ' ' LEU . 14.4 mmtt -60.54 -47.5 85.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.099 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.513 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 30.7 mtp180 -61.0 -34.88 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.465 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.95 -49.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.633 HG22 HG13 ' A' ' 46' ' ' VAL . 9.9 tp -58.33 -41.63 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -74.98 -32.51 61.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.123 0.487 . . . . 0.0 109.913 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 33.2 ttmt -66.73 -47.57 71.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.209 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.72 -37.06 78.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.144 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 78' ' ' THR . 91.6 mt -66.68 -45.94 87.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.68 -39.48 94.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.647 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 19.0 ttt180 -67.36 -43.3 81.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.2 tp -57.88 -50.88 71.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.513 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.56 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 9.0 t -80.62 3.93 20.32 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -53.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.3 -0.875 . . . . 0.0 112.57 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.647 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.9 m-85 -91.16 -46.54 8.03 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 t0 -58.98 -57.12 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m80 70.57 18.35 6.49 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.08 5.8 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.931 0.872 . . . . 0.0 109.735 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.56 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -96.99 170.24 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.395 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.864 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.4 mp -122.9 131.2 73.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.291 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 108' ' ' LEU . 1.2 mm? -129.21 119.94 24.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.246 0.546 . . . . 0.0 111.565 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.864 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -138.54 139.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.128 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.569 HG12 ' HG ' ' A' ' 28' ' ' LEU . 12.1 p -118.24 148.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.64 146.86 40.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.738 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.72 -16.47 37.37 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.835 2.357 . . . . 0.0 112.927 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -85.79 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -63.7 135.13 56.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.237 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.129 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.641 HD21 ' HA ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -29.01 25.28 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.15 0.5 . . . . 0.0 110.74 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -81.56 -32.97 31.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.042 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.428 HG13 HD22 ' B' ' 390' ' ' LEU . 14.7 mm -65.8 -45.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.871 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.28 -28.38 69.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.038 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -81.16 -27.79 35.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 109.666 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 32.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.962 0.41 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -49.25 78.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.785 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.63 -37.97 70.82 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 93.2 m-85 -60.33 -35.8 76.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.41 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -67.1 -27.68 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -79.04 -46.35 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.283 0.563 . . . . 0.0 109.924 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' CG2' HG22 ' A' ' 73' ' ' VAL . 1.6 mp -63.13 -46.05 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.674 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.2 p -58.06 -39.55 78.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 110.341 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.502 ' HA ' HG12 ' A' ' 25' ' ' VAL . 6.4 t-20 -66.0 -42.29 89.94 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.632 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.29 -39.5 83.19 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.546 ' N ' HD11 ' A' ' 23' ' ' LEU . 2.5 mm -66.68 -52.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 22' ' ' ASN . 10.9 p -67.95 -39.4 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.613 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 23.7 mt -64.64 -51.77 60.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 42.3 t-80 -59.76 -48.37 81.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -42.83 91.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.652 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 ptm180 -61.35 -35.75 78.29 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.352 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 33.4 mmtp -70.7 -40.94 72.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 0.0 109.666 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' HIS . 59.2 t -62.84 -50.99 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -65.76 -28.66 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 111.473 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -72.47 -33.15 66.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.72 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.31 -60.75 1.49 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CD ' ' HG ' ' A' ' 38' ' ' SER . 31.3 mt-10 -91.24 -20.51 21.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 29.7 t70 74.24 -58.29 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.354 0.662 . . . . 0.0 110.422 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -88.01 -122.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.856 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.408 ' HG ' ' CD ' ' A' ' 35' ' ' GLU . 47.8 m 54.36 57.63 5.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.471 0.482 . . . . 0.0 111.202 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 107' ' ' TYR . . . -51.49 -42.1 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.083 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.767 ' HG ' ' H ' ' A' ' 41' ' ' LYS . 13.9 tp 70.11 -164.74 0.16 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 123.656 0.597 . . . . 0.0 110.386 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.767 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 28.9 mtpp -118.7 151.25 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -61.1 -44.88 96.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.47 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.9 -37.81 72.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.012 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.55 -48.54 81.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.777 0.322 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.93 -30.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 0.0 110.083 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -52.91 -58.32 7.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.858 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -68.89 -33.12 73.25 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.499 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -55.19 -45.7 75.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.403 0.621 . . . . 0.0 110.023 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD23 ' HG3' ' A' ' 67' ' ' LYS . 10.0 mt -73.43 -50.68 20.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.546 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -54.56 -25.15 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -81.04 -41.28 22.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.7 pt -102.21 -3.34 9.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.754 ' HA ' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -74.74 -26.52 59.85 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.465 -178.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -20.48 65.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.35 3.87 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.584 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.754 HG12 ' HA ' ' A' ' 54' ' ' GLU . 21.4 mm -67.89 112.21 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.817 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.17 -18.68 26.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.547 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 7.7 t -137.59 129.17 28.33 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' A' ' 64' ' ' ILE . 29.2 tt0 -51.35 -36.55 43.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.942 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.01 -34.59 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.69 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.547 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 9.5 mm-40 -67.72 -42.5 81.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.18 0.514 . . . . 0.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' A' ' 57' ' ' ILE . 17.5 tp -67.22 -37.24 83.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.376 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.734 HG12 HD13 ' B' ' 390' ' ' LEU . 39.4 mt -69.72 -38.1 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.368 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.432 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.7 t30 -60.52 -50.57 73.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.37 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 70' ' ' ILE . 56.5 mmtt -54.87 -46.25 74.71 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.852 ' HG3' HD23 ' A' ' 50' ' ' LEU . 14.0 mttp -63.12 -42.12 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 40.8 ttp-105 -62.35 -29.53 70.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.582 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 65' ' ' ASN . 43.2 mm -86.55 -51.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 66' ' ' LYS . 8.9 tp -63.51 -41.32 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.743 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.1 -34.17 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 22.0 ttmm -63.52 -51.63 64.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.423 HG22 ' CG2' ' A' ' 20' ' ' ILE . 32.7 m -64.62 -35.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.861 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.36 -37.97 78.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.427 . . . . 0.0 109.955 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -70.33 -32.88 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.34 0.59 . . . . 0.0 109.776 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.804 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 9.3 ttt180 -74.63 -43.01 57.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.028 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 17.4 tp -56.91 -39.2 73.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.048 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.428 ' HA ' HD21 ' A' ' 84' ' ' LEU . 6.7 p -78.99 -25.63 43.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.41 -70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.804 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.1 m-85 -56.97 -47.0 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.609 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 5.1 m-20 -81.08 -61.14 2.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 63.37 33.94 13.44 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.636 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.75 3.56 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.55 . . . . 0.0 110.556 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 78' ' ' THR . 1.8 pt? -91.39 151.55 20.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.42 0.629 . . . . 0.0 111.707 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.752 ' HB ' HG12 ' A' ' 109' ' ' VAL . 4.7 mp -100.35 146.89 8.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 108' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.325 -0.483 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.546 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 55.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.658 0.266 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 86' ' ' GLU . 2.1 mm? -98.65 123.29 42.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.844 -178.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.752 HG12 ' HB ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -128.61 138.82 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.713 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.44 148.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.727 0.298 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -83.53 142.32 42.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.521 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.55 -0.49 5.23 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.878 2.386 . . . . 0.0 111.849 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.42 -4.55 57.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.832 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 121.87 11.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.715 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.13 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.734 HD13 HG12 ' A' ' 64' ' ' ILE . 11.1 tp . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.591 0.234 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -61.94 -26.78 68.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.093 178.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.559 ' O ' ' HG2' ' B' ' 396' ' ' LYS . 1.7 mp -62.4 -30.7 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.556 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.84 -24.53 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.184 0.516 . . . . 0.0 110.342 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -98.04 -16.51 19.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.451 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.015 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.724 0.297 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -49.15 78.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.62 -42.3 78.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.038 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -59.4 -42.4 91.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.037 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t -60.57 -43.69 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -61.51 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.506 HG22 HD12 ' A' ' 70' ' ' ILE . 1.7 mp -65.41 -46.76 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.053 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.7 t -58.14 -37.45 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.025 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -61.32 -42.6 98.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.587 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -59.77 -38.73 82.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.475 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.6 HG22 ' HE2' ' A' ' 114' ' ' TYR . 7.3 mm -66.98 -52.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.477 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.38 -36.11 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.748 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 8.2 mt -67.47 -51.84 46.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.641 0.258 . . . . 0.0 111.444 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -68.36 -39.4 81.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.056 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.28 -45.98 82.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.914 -179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 14.3 ptm180 -63.1 -30.47 71.62 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 110.243 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 17.3 tppt? -73.08 -42.18 63.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.639 HG22 HD12 ' A' ' 40' ' ' LEU . 14.4 t -59.97 -48.97 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.872 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 10.4 pt-20 -66.7 -28.14 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.749 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -73.67 -34.16 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.462 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 16.5 mt-10 -87.21 -55.63 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.549 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.43 -80.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 176.51 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.535 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -109.8 -52.1 2.81 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m 67.76 -43.02 0.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.316 -1.311 . . . . 0.0 113.198 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.558 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . . . 61.67 86.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.501 0.667 . . . . 0.0 110.354 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.87 167.82 11.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.492 -178.446 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -82.01 130.52 35.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.914 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -36.14 78.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.468 0.175 . . . . 0.0 111.334 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -33.69 75.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.668 0.271 . . . . 0.0 110.489 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' HE1' ' A' ' 48' ' ' TRP . 88.4 mt -57.16 -50.92 71.33 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.068 0.461 . . . . 0.0 109.897 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG13 HG23 ' A' ' 70' ' ' ILE . 39.8 t -64.19 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.197 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -56.71 -60.31 3.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.157 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 36.3 p-90 -66.62 -28.89 68.85 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.045 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -59.39 -50.04 75.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 14.7 mt -67.56 -38.82 84.68 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.645 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 3.1 mptp? -59.7 -25.59 64.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.783 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -83.19 -41.21 18.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.956 0.408 . . . . 0.0 111.524 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 57' ' ' ILE . 8.0 pt -89.57 -16.6 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.645 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 10.5 pt-20 -61.21 -21.68 64.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -26.08 61.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.895 0.379 . . . . 0.0 110.349 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 -21.48 15.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.2 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.733 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.9 mm -74.21 108.37 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -110.21 -10.52 14.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.412 0.625 . . . . 0.0 109.35 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -118.74 134.8 54.88 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.243 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.823 ' HG2' HD13 ' A' ' 64' ' ' ILE . 3.1 tt0 -58.64 -37.55 76.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.017 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -52.6 -46.4 66.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.661 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HB2' HG22 ' A' ' 57' ' ' ILE . 68.1 mm-40 -60.05 -46.61 88.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.01 0.433 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.2 tp -66.13 -42.18 89.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.823 HD13 ' HG2' ' A' ' 60' ' ' GLU . 83.0 mt -62.8 -42.41 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 109.981 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.4 t30 -57.84 -48.78 78.78 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.024 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.572 ' HE3' HD13 ' A' ' 53' ' ' ILE . 7.7 tppt? -63.59 -49.7 72.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' B' ' 393' ' ' ILE . 13.1 tptp -54.85 -49.17 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.327 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.79 -30.03 70.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 65' ' ' ASN . 38.8 mm -79.52 -51.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.427 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.572 HG23 HG13 ' A' ' 46' ' ' VAL . 7.3 tp -58.18 -42.91 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.59 0.233 . . . . 0.0 110.936 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.43 -44.16 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.91 -43.64 94.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.255 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 69' ' ' ILE . 79.7 t -60.78 -47.74 91.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.695 0.284 . . . . 0.0 110.255 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.21 -43.68 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.3 -41.9 98.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.703 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.663 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 33.5 ttm180 -62.76 -41.88 99.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.52 0.676 . . . . 0.0 110.205 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.78 HD23 HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -71.9 -24.76 61.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.081 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -93.98 4.47 53.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -139.82 -55.96 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.663 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 42.6 m-85 -71.73 -54.65 9.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.55 -56.88 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 111.86 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 25.2 t-80 67.77 50.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.076 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.78 HG23 HD23 ' A' ' 77' ' ' LEU . 2.7 m -91.63 -2.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -87.78 140.81 29.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.996 178.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.813 ' HB ' HG12 ' A' ' 109' ' ' VAL . 3.1 mt -93.32 131.86 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.797 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 36.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 84' ' ' LEU . 50.2 mt -103.03 143.13 32.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 111.896 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.813 HG12 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -147.91 138.32 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.203 178.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 84' ' ' LEU . 4.6 p -119.69 163.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.709 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 112' ' ' PRO . 53.8 p30 -102.47 163.05 18.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.028 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 111' ' ' ASN . 73.5 Cg_endo -79.3 0.87 9.66 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.694 2.263 . . . . 0.0 111.799 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -74.01 -66.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.005 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.6 ' HE2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER 55.9 -159.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.591 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.942 ' HB3' ' HB ' ' B' ' 393' ' ' ILE . 34.9 mt . . . . . 0 N--CA 1.442 -0.844 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 44.98 26.77 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.312 1.007 . . . . 0.0 111.297 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.412 HH12 ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -164.54 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.678 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.942 ' HB ' ' HB3' ' B' ' 390' ' ' LEU . 3.4 mp -65.52 -22.2 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.228 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -63.32 -43.73 96.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.443 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.03 -27.9 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.413 0.149 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -26.28 67.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.346 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -56.68 -52.22 65.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.034 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -58.26 -44.87 88.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.866 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -38.72 92.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.217 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -64.91 -47.72 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.07 -44.54 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.34 0.59 . . . . 0.0 109.812 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.1 m -60.5 -38.43 84.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.083 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -33.14 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.12 -37.82 84.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.516 178.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.35 -44.78 97.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.812 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.52 -44.2 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 123.337 0.398 . . . . 0.0 111.446 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.85 -46.73 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.509 ' O ' HG21 ' A' ' 31' ' ' VAL . 70.2 t60 -62.97 -36.72 84.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 112' ' ' PRO . 1.2 tm? -64.2 -41.16 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.95 -41.74 88.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.244 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -70.33 -33.91 72.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 27' ' ' HIS . 45.5 t -64.95 -42.21 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.0 pt-20 -78.7 -29.12 45.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -77.25 -42.38 37.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -94.52 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.59 -20.1 65.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 35.2 t70 68.41 20.16 8.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.772 0.796 . . . . 0.0 110.153 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -116.86 -141.2 0.37 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.46 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -179.57 -26.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.029 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -87.06 162.78 17.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.3 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt 69.17 92.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.368 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 22.1 ptmt -165.68 21.12 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.507 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 42' ' ' ARG . 7.1 ttm-85 -73.94 -62.41 1.51 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.75 -36.61 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.765 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 74' ' ' ILE . 15.3 tp -52.15 -57.93 8.13 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.0 t -68.07 -37.53 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 110.212 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.56 -58.22 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.245 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.414 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 37.6 p-90 -76.18 -29.06 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.321 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' O ' HG12 ' A' ' 53' ' ' ILE . 24.0 t80 -59.3 -52.79 64.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.894 0.378 . . . . 0.0 110.615 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.614 HD13 ' HZ2' ' A' ' 67' ' ' LYS . 14.9 mt -62.57 -39.13 92.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.054 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -70.65 -27.09 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.732 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -83.49 -37.16 23.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.813 -179.104 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.65 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 29.8 pt -90.78 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 7.0 pt-20 -60.87 -23.36 65.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.32 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -32.74 72.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.384 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 7.5 pt-20 -88.17 -16.09 34.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.776 HG23 ' HB2' ' A' ' 63' ' ' LEU . 36.0 mm -73.67 91.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.058 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -84.27 -14.96 48.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 m -139.03 143.52 38.45 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.374 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.64 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.6 tt0 -51.77 -44.63 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.526 0.516 . . . . 0.0 110.624 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HA ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp0 -53.99 -38.97 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.9 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.9 -43.23 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.237 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.776 ' HB2' HG23 ' A' ' 57' ' ' ILE . 17.5 tp -69.95 -39.69 75.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.822 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.891 ' HA ' HD11 ' B' ' 390' ' ' LEU . 18.7 mm -53.29 -52.96 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.548 0.689 . . . . 0.0 109.175 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.56 -52.04 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.836 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 70' ' ' ILE . 25.9 mmtm -57.39 -47.48 81.58 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.156 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.614 ' HZ2' HD13 ' A' ' 50' ' ' LEU . 1.1 tppt? -65.64 -38.3 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.59 -46.65 87.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -68.08 -52.74 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.782 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 66' ' ' LYS . 9.3 tp -56.26 -42.27 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.467 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.56 -44.81 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.762 0.315 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -64.95 -39.71 93.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.338 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.47 -44.06 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.57 HD13 HD23 ' A' ' 45' ' ' LEU . 97.2 mt -63.52 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.479 . . . . 0.0 110.044 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.37 -41.62 98.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.446 0.641 . . . . 0.0 109.686 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.584 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 35.3 ttt180 -67.43 -42.9 82.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.998 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.782 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 8.5 tt -57.37 -39.32 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.625 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -36.56 30.48 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -98.17 -67.91 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.584 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 98.7 m-85 -66.38 -53.4 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.782 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 84.2 m-20 -68.83 -48.11 64.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.102 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.35 33.36 22.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.304 0.573 . . . . 0.0 110.05 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 77' ' ' LEU . 7.0 p -95.81 7.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.038 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.47 130.1 36.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.276 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.817 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.2 mt -96.85 139.42 19.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.772 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.1 mm? -103.17 126.51 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.845 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.817 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -136.05 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.737 0.304 . . . . 0.0 111.155 -178.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.481 HG13 ' HZ2' ' A' ' 41' ' ' LYS . 9.8 p -115.8 149.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.17 138.02 97.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.681 0.276 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.558 ' HB3' HD12 ' A' ' 28' ' ' LEU . 47.6 Cg_endo -68.67 -8.46 23.34 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.279 2.652 . . . . 0.0 113.298 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -89.87 -69.06 0.74 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.573 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 28.5 t80 69.99 151.95 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.947 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.518 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 120.946 0.403 . . . . 0.0 111.181 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.891 HD11 ' HA ' ' A' ' 64' ' ' ILE . 9.2 tp . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.46 0.171 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.09 -27.61 69.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 109.509 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -61.68 -31.9 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.869 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -56.17 -36.97 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.614 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.471 ' HA ' ' HD2' ' B' ' 394' ' ' ARG . 17.5 mmm180 -56.88 -33.21 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.623 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.83 -11.36 19.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.746 0.784 . . . . 0.0 109.849 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.621 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 5.4 tmtm? . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.327 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.75 0.309 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -62.33 -46.5 88.43 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.983 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.56 -36.9 73.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.742 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.6 -40.46 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 21.6 t -65.93 -38.26 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.748 178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -65.06 -42.46 94.18 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 HG23 HG22 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -66.69 -49.83 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 110.138 179.508 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 24' ' ' ILE . 7.6 m -64.12 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -63.35 -32.51 73.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.93 HD21 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -60.56 -43.44 97.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.891 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 21' ' ' SER . 7.8 tp -64.91 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 29.9 m -77.52 -37.94 25.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.8 mt -68.6 -46.89 68.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' VAL . 51.3 t-80 -65.15 -34.84 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.12 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 68.6 mtp180 -58.97 -38.48 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.587 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.26 -38.78 68.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.354 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 27' ' ' HIS . 55.4 t -65.49 -43.47 94.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.2 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 10.2 pt-20 -66.61 -27.9 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.392 . . . . 0.0 110.454 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -78.78 -42.62 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -88.12 -68.26 0.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.978 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.64 -37.35 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 66.51 18.08 10.75 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.605 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' ALA . 10.6 pt-20 -123.61 -3.63 8.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m 68.06 -34.95 0.26 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.91 0.884 . . . . 0.0 113.155 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -54.18 134.62 44.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.117 0.484 . . . . 0.0 112.17 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -136.2 176.69 8.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.811 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 44' ' ' GLU . 42.5 mttp -94.41 130.47 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.665 ' HB2' HD12 ' A' ' 108' ' ' LEU . 57.4 ttt180 -59.47 -61.73 2.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -64.77 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . 36.2 tt0 -61.55 -36.08 79.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.904 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 40' ' ' LEU . 50.1 mt -53.19 -57.49 10.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.922 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.729 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 p -72.67 -30.91 35.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 19.3 t30 -50.31 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.155 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -70.28 -29.06 65.73 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' HG12 ' A' ' 53' ' ' ILE . 39.4 t80 -56.12 -46.57 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.325 0.583 . . . . 0.0 109.696 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.889 HD11 ' HE3' ' A' ' 67' ' ' LYS . 12.7 mt -69.54 -42.98 73.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 9.9 mmtp -59.24 -29.82 67.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.441 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.57 -44.67 13.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.687 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.688 ' O ' HG12 ' A' ' 57' ' ' ILE . 43.8 pt -81.11 -21.97 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 5.1 pt-20 -59.74 -25.63 65.01 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -76.72 -21.69 54.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.491 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -103.54 -24.0 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.727 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 53' ' ' ILE . 42.6 mm -64.65 118.44 6.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.13 0.49 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -100.28 -25.38 14.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.071 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -104.3 130.02 52.13 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.65 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.43 -34.94 73.11 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.07 -44.18 82.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.169 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.05 -48.04 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.052 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.617 ' HB2' HG22 ' A' ' 57' ' ' ILE . 14.7 tp -61.56 -35.33 77.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.214 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.667 HG12 HD13 ' B' ' 390' ' ' LEU . 95.6 mt -75.5 -45.04 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.856 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.17 -51.65 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.509 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -58.85 -41.34 86.73 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.889 ' HE3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -64.35 -43.06 95.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.335 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -61.82 -47.55 84.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 20' ' ' ILE . 23.8 mt -63.04 -53.32 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.99 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.93 HD13 HD21 ' A' ' 23' ' ' LEU . 9.9 tp -55.49 -44.32 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.041 -0.263 . . . . 0.0 111.356 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.76 -48.9 70.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 0.0 110.489 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -57.58 -41.17 80.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.981 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.17 -49.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' HA ' HD21 ' A' ' 77' ' ' LEU . 89.1 mt -60.26 -44.36 95.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.447 0.641 . . . . 0.0 110.044 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -63.08 -40.41 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 76' ' ' ARG . 21.3 ttp-105 -75.92 -31.12 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.332 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.766 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -57.46 -36.88 72.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.692 ' HB ' HD11 ' A' ' 84' ' ' LEU . 5.2 t -93.64 -14.42 26.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 111.242 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -95.9 -75.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -82.76 -42.18 18.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.766 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.831 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 61.46 32.32 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' HB3' ' A' ' 81' ' ' ASP . 18.1 m -105.87 10.88 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.068 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 108' ' ' LEU . 5.3 tt -98.85 140.27 33.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.656 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.695 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 3.2 mp -115.41 117.07 54.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.002 0.43 . . . . 0.0 110.1 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.547 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 95.6 m-85 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 84' ' ' LEU . 45.9 mt -94.7 135.35 36.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.604 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.695 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 8.2 t -123.29 151.2 27.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.63 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.27 143.86 37.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-80 -66.46 145.03 98.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 8.4 Cg_exo -71.58 -3.54 13.27 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.108 2.539 . . . . 0.0 113.253 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -97.9 -84.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 62.16 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.497 0.665 . . . . 0.0 110.982 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.539 HD11 ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.7 HD12 ' HD2' ' A' ' 67' ' ' LYS . 5.3 tp . . . . . 0 N--CA 1.462 0.162 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.89 -25.2 64.9 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -72.46 -20.77 61.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.269 0.557 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.6 mp -63.41 -25.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.357 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -59.61 -46.56 88.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.051 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.05 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.21 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.578 179.216 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.777 0.322 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -66.11 -35.06 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.12 0.486 . . . . 0.0 110.189 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.03 -49.6 27.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.336 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.44 -39.03 75.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.899 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -62.12 -47.61 83.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.636 HD12 ' HG3' ' A' ' 66' ' ' LYS . 1.1 mp -74.43 -50.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.099 0.476 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -61.17 -36.18 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -58.98 -35.97 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.721 HD23 HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -57.95 -44.25 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.513 179.564 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 24' ' ' ILE . 3.5 mm -60.51 -49.69 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.47 -51.28 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.886 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.07 -41.66 99.48 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 t-80 -73.91 -39.44 63.84 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.465 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 38' ' ' SER . 1.6 tm? -61.76 -45.83 92.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.4 ptm180 -63.52 -29.74 70.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.176 0.512 . . . . 0.0 110.209 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.87 -41.92 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.376 0.607 . . . . 0.0 109.632 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.598 HG22 HD23 ' A' ' 40' ' ' LEU . 49.5 t -65.88 -44.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.53 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 pt-20 -64.71 -28.65 69.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.977 0.418 . . . . 0.0 110.264 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -70.06 -39.19 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -102.09 -68.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.14 -40.49 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.441 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.23 -6.66 1.49 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.379 0.671 . . . . 0.0 111.944 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.04 -22.04 24.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 0.0 111.349 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.3 m 58.92 20.53 8.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.3 138.88 31.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD23 HG22 ' A' ' 31' ' ' VAL . 41.3 mt -144.88 164.04 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.148 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -101.68 139.07 37.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.963 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -54.02 -63.13 1.25 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 1.3 m -64.66 -28.59 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.11 -40.44 64.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.544 HD23 HD21 ' A' ' 23' ' ' LEU . 3.1 mt -54.49 -52.36 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.157 0.503 . . . . 0.0 110.853 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.712 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -72.52 -33.16 44.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.781 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 43' ' ' SER . 50.5 t30 -50.31 -59.54 3.87 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.33 -29.43 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.51 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 53' ' ' ILE . 36.2 t80 -53.91 -52.59 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.377 0.608 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.925 HD23 ' HZ3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -68.64 -45.73 71.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 -179.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.43 -27.85 62.77 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -83.65 -45.01 13.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.62 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.9 pt -89.02 -11.08 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.0 pt-20 -65.41 -25.05 67.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.53 -24.45 60.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.516 0.198 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -101.83 10.09 40.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.457 0.646 . . . . 0.0 110.082 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 63' ' ' LEU . 13.4 mm -82.4 108.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.843 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -21.03 37.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.183 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.98 129.33 31.94 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 16.9 pm0 -53.08 -39.83 63.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.575 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.673 ' HA ' HD11 ' A' ' 64' ' ' ILE . 27.5 mt-10 -53.17 -35.24 59.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.146 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.8 mm-40 -63.24 -41.92 99.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.681 ' HB2' HG22 ' A' ' 57' ' ' ILE . 21.6 tp -74.01 -36.63 64.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.107 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.762 HG22 HD23 ' B' ' 390' ' ' LEU . 9.9 mt -62.92 -49.59 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 t30 -61.07 -50.67 72.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.28 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.636 ' HG3' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -55.99 -40.47 73.36 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.925 ' HZ3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.51 -49.19 72.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.362 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 17.8 tpp180 -62.54 -40.74 97.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.587 HG22 HG21 ' A' ' 20' ' ' ILE . 42.9 mt -65.37 -53.24 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.31 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.721 HD13 HD23 ' A' ' 23' ' ' LEU . 9.6 tp -60.35 -37.1 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.557 0.218 . . . . 0.0 111.204 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.15 -47.49 64.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 109.774 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -60.45 -46.69 89.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.612 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.407 HG11 ' O ' ' A' ' 69' ' ' ILE . 33.9 m -59.14 -36.56 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.523 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.44 -40.98 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -65.31 -39.73 92.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.293 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 57.0 ttp180 -69.79 -40.95 75.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD13 ' HE1' ' A' ' 114' ' ' TYR . 8.6 tp -63.24 -42.73 99.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.601 HG23 ' HG ' ' A' ' 84' ' ' LEU . 17.2 p -84.24 4.06 32.54 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -134.47 -60.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.144 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.627 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.4 m-85 -75.28 -54.72 6.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.712 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.607 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 12.8 m-20 -63.08 -50.29 71.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 m170 65.69 17.78 10.99 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.795 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.75 19.36 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.259 1.028 . . . . 0.0 109.536 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -94.27 124.98 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.28 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.986 ' HB ' HG11 ' A' ' 109' ' ' VAL . 8.1 mt -87.51 133.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.522 . . . . 0.0 111.049 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 84' ' ' LEU . 60.2 mt -111.62 130.79 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.986 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -134.67 138.62 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.052 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 p -101.71 145.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -64.17 130.19 94.43 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.49 -11.55 14.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.123 2.549 . . . . 0.0 112.863 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -83.9 -65.7 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.712 ' HE1' HD13 ' A' ' 77' ' ' LEU . 6.2 t80 65.59 172.75 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.6 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 64' ' ' ILE . 28.8 tp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.857 0.361 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.796 ' HG2' ' HE ' ' B' ' 394' ' ' ARG . 3.4 tt0 -70.75 -10.98 60.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.617 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -28.51 34.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.524 0.678 . . . . 0.0 109.903 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.637 HG23 ' CG1' ' A' ' 64' ' ' ILE . 1.7 mp -58.69 -36.21 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.73 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.796 ' HE ' ' HG2' ' B' ' 391' ' ' GLU . 23.2 ptt85 -59.49 -23.29 62.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 111.321 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -100.97 -17.22 16.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.555 0.693 . . . . 0.0 109.713 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.463 ' HD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.993 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 5.1 t80 . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -48.41 73.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.134 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -73.39 -38.6 65.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.4 -179.299 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 53.0 m-85 -59.67 -45.18 92.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 40.5 m -61.23 -47.92 83.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -63.36 -36.24 83.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.045 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 1.4 mp -77.83 -51.83 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -60.08 -31.85 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 18' ' ' SER . 65.3 t30 -62.33 -35.05 77.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD22 HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -59.14 -41.23 87.77 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 24' ' ' ILE . 3.5 mm -62.73 -47.56 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.46 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 83.4 mt -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.712 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.593 ' HE1' HD23 ' A' ' 40' ' ' LEU . 49.1 t-80 -63.13 -45.8 90.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.602 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -63.08 -49.69 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.5 0.19 . . . . 0.0 111.038 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -61.43 -31.36 71.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.138 -179.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -73.19 -54.77 7.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.02 -36.15 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 5.7 pt-20 -70.12 -29.03 65.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.67 -35.05 30.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.69 -62.98 1.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -106.03 -78.79 0.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.184 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -178.96 -54.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.384 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.11 -42.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m 71.12 -48.29 0.67 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.9 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 54.92 89.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.345 0.658 . . . . 0.0 112.147 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.593 HD23 ' HE1' ' A' ' 27' ' ' HIS . 2.2 mm? -100.63 -151.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' H ' ' HB3' ' A' ' 40' ' ' LEU . 16.6 mttm -125.81 163.33 23.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' HG22 ' A' ' 46' ' ' VAL . 12.9 ptm180 -60.23 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.021 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -30.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.13 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.32 -37.83 71.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.663 HD11 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -62.44 -42.05 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 178.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.688 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 19.9 t -73.22 -34.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.135 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -50.13 -59.53 3.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.139 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.663 ' HE1' HD11 ' A' ' 45' ' ' LEU . 48.5 p-90 -68.74 -29.43 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.029 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.453 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 19.2 t80 -60.29 -51.55 69.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.196 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -63.02 -37.06 85.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.962 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -29.11 69.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.097 0.475 . . . . 0.0 110.93 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 32.2 mm-40 -84.54 -36.04 22.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.458 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.634 ' O ' HG12 ' A' ' 57' ' ' ILE . 20.3 pt -87.9 -13.48 10.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 10.1 pt-20 -60.09 -24.07 64.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.855 0.359 . . . . 0.0 111.364 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -24.59 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.28 -17.75 20.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.161 0.505 . . . . 0.0 110.044 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.99 HG21 ' HB2' ' A' ' 63' ' ' LEU . 23.9 mm -86.05 98.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.767 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.9 -12.28 25.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.13 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.07 128.88 48.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.739 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.67 -35.71 66.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -54.49 -36.58 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.521 0.2 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HB3' HD12 ' A' ' 57' ' ' ILE . 44.8 mm-40 -66.55 -46.77 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.184 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.99 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.0 tp -65.92 -49.66 67.22 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.705 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.758 HG12 HD21 ' B' ' 390' ' ' LEU . 22.0 mt -55.58 -36.29 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.129 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.5 t30 -71.29 -46.75 60.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.101 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -58.08 -44.19 87.45 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.588 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HE2' HD21 ' A' ' 50' ' ' LEU . 65.6 mttt -65.72 -34.51 78.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.186 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -66.93 -42.98 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.893 178.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 65' ' ' ASN . 37.3 mm -70.38 -48.16 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.606 HG21 HG11 ' A' ' 46' ' ' VAL . 11.0 tp -58.04 -39.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.273 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.59 -36.21 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.405 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -58.93 -50.56 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.33 -40.81 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.034 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.29 -41.67 91.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.92 -43.83 94.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.17 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.649 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 12.2 ttm180 -68.13 -38.76 82.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.81 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HG ' HG11 ' A' ' 83' ' ' VAL . 6.7 tt -60.94 -44.44 97.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.078 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 84' ' ' LEU . 17.4 p -85.26 3.99 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -132.96 -68.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.21 -0.596 . . . . 0.0 112.144 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.649 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.0 m-85 -72.85 -66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -177.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.31 -44.4 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.49 33.52 16.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.404 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 111' ' ' ASN . 7.1 p -90.45 13.86 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 122.2 1.0 . . . . 0.0 109.795 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 78' ' ' THR . 1.4 pt? -91.24 147.0 23.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.751 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.904 ' HB ' HG11 ' A' ' 109' ' ' VAL . 8.7 mt -118.36 129.36 74.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.492 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.075 179.246 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.52 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 39.2 m-85 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.687 0.28 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -116.56 129.04 55.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.059 0.457 . . . . 0.0 110.186 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.904 HG11 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -143.14 143.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.14 139.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.877 0.37 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.471 ' HB3' HG23 ' A' ' 83' ' ' VAL . 26.0 t30 -67.38 125.64 91.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.861 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.55 -18.3 14.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.066 2.511 . . . . 0.0 112.307 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 16.2 m120 -89.42 48.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.392 0.615 . . . . 0.0 109.378 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -73.15 150.86 41.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.372 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.758 HD21 HG12 ' A' ' 64' ' ' ILE . 1.4 tp . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.789 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 13.3 tt0 -58.08 -37.6 74.79 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.006 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -62.4 -23.08 66.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.326 0.584 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.714 HD13 ' HG ' ' B' ' 390' ' ' LEU . 11.6 mt -71.27 -25.84 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.607 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.789 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 4.2 ptp180 -63.29 -24.77 68.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.585 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.76 17.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.18 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 41.3 tttm . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.337 179.209 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.653 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 33.4 p90 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 11.0 m -64.55 -44.28 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -61.88 -48.5 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.653 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 18.8 m-85 -57.05 -42.23 80.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.125 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 m -62.64 -43.16 99.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 15' ' ' SER . 38.9 mmt180 -63.29 -36.79 84.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.861 0.362 . . . . 0.0 111.265 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.504 HG22 HD12 ' A' ' 70' ' ' ILE . 1.6 mp -77.41 -47.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.68 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -36.43 75.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.36 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.46 -33.58 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.601 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 24' ' ' ILE . 5.0 mm -60.37 -52.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.14 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HB ' ' NH2' ' A' ' 29' ' ' ARG . 12.4 m -69.09 -43.25 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.278 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.84 -47.22 83.28 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.037 0.446 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -70.59 -44.6 66.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.895 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.03 -50.69 72.56 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' NH2' ' HB ' ' A' ' 25' ' ' VAL . 7.6 ptp180 -61.38 -35.03 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -40.08 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.301 0.572 . . . . 0.0 110.369 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.98 -51.46 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.388 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.46 -27.8 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.77 -43.03 76.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.321 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.89 -66.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.24 -37.02 85.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t0 64.3 30.59 13.35 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.692 0.758 . . . . 0.0 110.027 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -154.05 106.09 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.749 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.806 ' HB3' HG21 ' A' ' 109' ' ' VAL . 7.5 t -69.11 -10.6 58.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.373 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.859 ' HB2' ' HB3' ' A' ' 107' ' ' TYR . . . -72.25 88.61 1.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -138.6 161.55 36.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.286 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 43.1 mttm -69.36 131.88 45.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 110.495 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -77.15 -19.25 57.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.777 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 m -60.54 -42.45 96.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 12.6 pt-20 -71.69 -29.51 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.643 HD13 ' HE1' ' A' ' 48' ' ' TRP . 58.0 tp -54.62 -48.63 71.99 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 121.067 0.461 . . . . 0.0 110.037 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 34.3 t -72.51 -33.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.46 ' O ' ' HD2' ' A' ' 51' ' ' LYS . 32.4 t30 -55.61 -58.83 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.687 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.643 ' HE1' HD13 ' A' ' 45' ' ' LEU . 44.0 p-90 -66.34 -29.58 69.8 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.873 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -59.52 -50.24 74.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.168 0.509 . . . . 0.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 11.7 mt -68.85 -35.84 77.42 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.911 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -67.7 -23.05 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 74.3 mm-40 -83.52 -36.24 24.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.6 pt -99.46 -6.57 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 8.4 pt-20 -54.11 -29.66 45.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -23.5 43.22 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -94.92 -30.27 14.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.082 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.595 HG23 ' HB2' ' A' ' 63' ' ' LEU . 35.3 mm -72.01 105.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.735 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.65 -15.29 16.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.571 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -113.08 130.49 56.15 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.426 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' HG12 ' A' ' 64' ' ' ILE . 1.5 tp10 -55.1 -42.22 72.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.175 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -56.93 -38.35 72.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.023 -0.99 . . . . 0.0 112.315 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 59' ' ' SER . 78.2 mm-40 -61.87 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.595 ' HB2' HG23 ' A' ' 57' ' ' ILE . 4.8 tp -66.8 -41.54 87.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' GLU . 5.0 mm -57.94 -47.02 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 1.3 t30 -60.67 -49.77 76.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.01 -43.11 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 110.432 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.838 ' HD2' HD11 ' B' ' 390' ' ' LEU . 13.1 ttmm -69.35 -43.61 73.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.867 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 6.0 ptp180 -60.62 -25.2 66.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.483 0.182 . . . . 0.0 111.265 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 65' ' ' ASN . 32.5 mm -87.86 -53.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.509 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.618 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.3 tp -56.43 -44.07 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.174 0.296 . . . . 0.0 111.205 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -61.93 -56.85 14.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.624 0.726 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.34 -44.51 75.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.98 -48.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.518 0.199 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.75 -41.7 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 109.939 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.34 -42.74 99.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.901 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -68.4 -46.39 70.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.739 HD12 HD23 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -58.98 -39.2 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.997 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 HG21 ' HG ' ' A' ' 84' ' ' LEU . 17.8 p -83.76 -15.92 46.71 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -116.44 -75.4 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 92.5 m-85 -59.29 -54.35 47.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 39.7 m-20 -66.72 -40.41 88.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.653 0.263 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 60.23 20.86 10.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.19 7.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 122.245 1.021 . . . . 0.0 109.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.739 HD23 HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -101.67 126.11 48.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.704 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.942 ' HB ' HG11 ' A' ' 109' ' ' VAL . 3.4 mt -93.56 141.91 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 1.6 mt-10 . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.397 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.859 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 32.5 m-85 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.5 mm? -82.28 122.77 28.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.942 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.18 138.47 54.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.58 142.54 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' OD1' HD11 ' A' ' 85' ' ' ILE . 11.3 m120 -102.04 147.62 34.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.284 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.62 -6.45 18.57 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.669 2.246 . . . . 0.0 112.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.83 -63.22 1.22 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.628 ' HH ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 53.83 -154.41 0.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.412 -179.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.437 HD22 ' HD1' ' A' ' 114' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.932 0.396 . . . . 0.0 110.978 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 390' ' ' LEU . . . . . 0.838 HD11 ' HD2' ' A' ' 67' ' ' LYS . 3.0 tp . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 391' ' ' GLU . . . . . 0.725 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 7.2 pt-20 -65.4 -17.28 64.42 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.387 0.613 . . . . 0.0 109.644 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' B' ' 392' ' ' ARG . 5.9 tpp180 -78.63 -21.42 48.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.532 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 393' ' ' ILE . . . . . 0.69 ' O ' ' HG3' ' B' ' 396' ' ' LYS . 26.2 mm -70.75 -28.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.768 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.725 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 26.8 ptt180 -69.07 -25.61 64.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 109.792 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 396' ' ' LYS . . . . . 0.69 ' HG3' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.592 0.234 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 22.6 Cg_exo -65.49 -28.75 53.61 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.881 2.387 . . . . 0.0 112.528 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 16.8 tptm -71.16 -20.64 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -28.64 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.95 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 m 63.4 -177.96 0.15 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.746 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.8 mt 62.85 54.47 2.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.801 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -138.74 -46.13 0.49 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.625 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tp -143.35 -30.25 0.51 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.64 -46.87 58.87 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.415 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -96.46 75.52 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 m -62.13 -44.98 95.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.737 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -41.79 99.51 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.949 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.67 -45.46 86.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.473 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 m -66.38 -40.64 89.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 0.0 110.865 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 9.9 tpt180 -63.62 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.576 HG22 HG23 ' A' ' 73' ' ' VAL . 1.5 mp -78.54 -49.92 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -57.27 -37.11 71.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.502 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.87 -35.98 75.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.422 HD21 HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.57 -36.52 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.731 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 24' ' ' ILE . 1.6 mm -70.39 -52.34 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.73 -43.66 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -66.31 -49.33 67.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -68.93 -30.97 69.53 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.337 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD21 HG11 ' A' ' 110' ' ' VAL . 29.9 tp -74.4 -47.48 33.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.849 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.645 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 13.9 ptm180 -62.0 -29.67 70.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 110.533 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -70.73 -45.39 64.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.55 -34.62 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.645 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.4 pt-20 -68.79 -29.39 67.74 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -71.46 -31.35 67.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.658 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -83.89 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.162 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -107.37 -83.27 0.54 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.418 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -177.81 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -164.04 99.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.14 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.01 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.637 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.37 -179.57 0.13 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.645 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? 54.73 71.82 0.51 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.644 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -154.97 59.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.899 0.381 . . . . 0.0 111.652 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -75.44 -62.2 1.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 179.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -32.84 41.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.09 -43.3 86.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD11 ' HE1' ' A' ' 48' ' ' TRP . 20.9 tp -57.17 -45.27 83.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.685 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.792 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.2 t -72.53 -42.89 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.038 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -50.87 -58.8 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.69 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.517 ' HE1' HD11 ' A' ' 45' ' ' LEU . 24.4 p-90 -66.41 -30.21 70.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.886 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' OH ' ' HG3' ' A' ' 19' ' ' ARG . 19.3 t80 -61.67 -51.02 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.119 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.792 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 12.0 mt -62.69 -41.51 99.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.835 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -67.07 -23.99 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.317 . . . . 0.0 111.844 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -84.39 -37.45 21.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.912 0.387 . . . . 0.0 111.824 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.666 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 38.6 pt -95.46 -10.16 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt-20 -59.24 -23.83 62.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 m -76.61 -28.1 55.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.666 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 5.0 pt-20 -93.73 -21.19 19.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.311 0.577 . . . . 0.0 109.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.795 HD13 ' HB3' ' A' ' 62' ' ' GLU . 30.5 mm -81.05 91.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.269 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' OD1' ' HG2' ' B' ' 405' ' ' MET . 71.8 m-20 -94.12 -7.23 43.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -118.34 133.56 55.79 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.866 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.674 ' HG2' HD13 ' A' ' 64' ' ' ILE . 57.5 tt0 -56.17 -37.98 70.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.24 -48.53 68.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.186 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.795 ' HB3' HD13 ' A' ' 57' ' ' ILE . 15.8 mm-40 -55.9 -50.92 69.36 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.882 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 8.8 tp -59.16 -48.32 82.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.231 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.674 HD13 ' HG2' ' A' ' 60' ' ' GLU . 45.5 mt -58.76 -39.56 77.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.2 t30 -69.04 -48.43 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.778 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -59.78 -42.08 92.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HD2' HD11 ' B' ' 390' ' ' LEU . 88.3 mttt -68.23 -35.35 77.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.841 0.353 . . . . 0.0 110.408 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' HA ' HG11 ' B' ' 385' ' ' VAL . 40.3 ttt180 -64.87 -46.92 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.0 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 65' ' ' ASN . 45.5 mm -66.9 -48.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.158 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 67' ' ' LYS . 10.9 tp -58.99 -41.69 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.114 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.52 -45.9 71.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.137 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -61.45 -39.19 89.93 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 20' ' ' ILE . 38.7 t -65.41 -46.85 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.589 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 45' ' ' LEU . 95.9 mt -61.93 -42.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.998 0.428 . . . . 0.0 110.203 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -63.24 -40.32 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.237 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.643 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 42.7 ttp180 -70.66 -42.48 70.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.815 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.6 tt -56.08 -40.13 73.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.28 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.67 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 4.2 p -87.1 3.35 46.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.724 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -141.6 -82.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.643 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.0 m-85 -55.71 -52.08 65.1 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.578 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 47.4 m-20 -69.31 -39.51 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 56.85 39.56 29.47 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.886 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.542 HG23 ' HG ' ' A' ' 77' ' ' LEU . 6.7 m -103.47 11.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.518 0.675 . . . . 0.0 109.893 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.67 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -90.95 155.43 18.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.921 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.828 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.2 mt -128.09 136.13 61.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.54 144.84 50.69 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 87' ' ' LEU . 14.1 mt -69.6 -72.67 0.18 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.297 0.57 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.592 ' O ' HD22 ' A' ' 92' ' ' LEU . 7.3 p -79.73 -170.62 2.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.853 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.551 ' HA ' HD13 ' A' ' 92' ' ' LEU . 23.9 tt0 -142.59 -43.29 0.32 Allowed 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.162 0.506 . . . . 0.0 110.189 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.14 -17.36 64.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.513 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.57 5.03 54.31 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.272 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.592 HD22 ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -134.18 -7.89 2.64 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.578 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -101.6 111.92 24.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.693 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.82 173.07 55.05 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m 65.28 -169.03 0.2 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 122.513 0.325 . . . . 0.0 110.642 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.41 ' HB ' ' H ' ' A' ' 97' ' ' GLU . 2.1 m 62.98 -85.65 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.885 0.474 . . . . 0.0 111.406 179.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.41 ' H ' ' HB ' ' A' ' 96' ' ' THR . 12.1 mt-10 -85.9 -20.67 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.9 48.33 5.23 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.765 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.5 146.47 48.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.25 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.527 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 10.9 mp0 -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m 48.9 48.01 20.92 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.594 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 48.7 p90 -93.81 -25.12 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.13 -71.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -173.25 176.45 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.771 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.9 133.68 81.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.649 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.497 ' HG2' HD23 ' A' ' 92' ' ' LEU . 11.5 Cg_endo -53.32 -76.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.69 2.927 . . . . 0.0 113.811 -178.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.95 133.05 49.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.38 119.18 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.828 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -140.69 153.65 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.574 HG11 HD21 ' A' ' 28' ' ' LEU . 3.4 p -115.82 144.83 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.516 0.198 . . . . 0.0 111.358 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.437 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.8 t30 -78.75 131.01 68.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.899 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 17.3 Cg_exo -67.58 -5.27 13.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.984 2.456 . . . . 0.0 112.964 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.82 -67.85 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.321 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.462 ' CD1' HG22 ' A' ' 83' ' ' VAL . 1.6 t80 59.87 -164.46 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.511 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -137.84 27.57 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.131 -0.355 . . . . 0.0 111.75 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.473 HD22 ' H ' ' A' ' 116' ' ' LEU . 1.9 pt? -89.65 166.77 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.322 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.94 -80.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.982 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.028 0.442 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -134.52 144.3 47.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.33 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.79 133.22 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.322 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 59.45 77.78 0.3 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.015 0.822 . . . . 0.0 110.987 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -63.65 111.18 3.92 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.768 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 68' ' ' ARG . 5.2 p -70.45 126.13 30.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 35.3 m 55.99 77.79 0.22 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.332 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 391' ' ' GLU . 2.5 tt0 -55.75 -30.06 60.6 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.461 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.53 -45.97 90.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.083 0.468 . . . . 0.0 111.079 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.4 -29.45 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.896 HD11 ' HD2' ' A' ' 67' ' ' LYS . 6.1 tp -82.09 -21.92 36.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 15.7 tt0 -57.58 -29.94 64.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -22.36 62.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.487 0.661 . . . . 0.0 110.556 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.764 HG12 HD23 ' A' ' 63' ' ' LEU . 9.2 mt -72.34 -31.65 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.05 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 22.2 ptt85 -59.64 -32.27 70.29 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.132 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -85.06 -30.11 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.545 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.1 OUTLIER -65.02 -40.41 94.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.234 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -37.01 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.879 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.38 68.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.53 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -60.22 -53.62 55.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.853 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.61 -2.02 24.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.131 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -89.95 -49.57 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.24 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 3.0 pp -77.4 -34.03 54.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -97.9 120.34 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.124 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -73.2 108.81 6.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.243 0.544 . . . . 0.0 110.467 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' MET . . . . . 0.441 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt -92.26 -4.08 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.539 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.51 124.13 17.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.288 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -60.27 121.2 11.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 86.4 t90 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.014 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.61 -22.05 51.38 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.621 2.214 . . . . 0.0 112.666 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -71.68 115.77 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.516 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.5 -38.12 22.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m 69.07 137.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.043 0.537 . . . . 0.0 111.687 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.81 131.52 45.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.411 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -105.72 -173.18 2.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.19 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.79 -22.6 66.99 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.635 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.31 -34.1 62.62 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.103 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.776 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 36.8 m-85 -85.58 61.3 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -54.73 -48.66 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.047 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.89 -43.16 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.568 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.776 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 31.7 m-85 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -61.5 -43.19 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -48.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.423 . . . . 0.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -57.54 -43.31 84.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.39 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.04 -41.3 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.079 0.466 . . . . 0.0 110.355 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.427 ' N ' HD21 ' A' ' 23' ' ' LEU . 3.3 mm -65.76 -47.82 84.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.88 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.64 -49.71 79.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.757 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.53 -49.1 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.628 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' HE1' ' HA ' ' A' ' 40' ' ' LEU . 57.8 t-80 -57.78 -46.83 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.74 -38.68 89.79 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.679 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.19 -45.81 91.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 110.661 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.21 -41.91 84.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.34 0.59 . . . . 0.0 110.08 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.48 -51.7 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.453 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.886 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 14.3 pt-20 -61.32 -31.69 71.55 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.787 0.327 . . . . 0.0 111.385 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.83 -38.63 61.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -85.77 -63.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -115.76 -0.03 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.886 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER 69.13 -75.42 0.07 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.412 0.685 . . . . 0.0 112.19 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -113.0 84.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 29.69 7.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.693 ' HA ' HG23 ' A' ' 109' ' ' VAL . . . 53.8 -149.01 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.634 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' HA ' ' HE1' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -155.95 -37.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.555 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.2 mttp 65.73 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.66 0.6 . . . . 0.0 110.617 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' HB3' HG22 ' A' ' 74' ' ' ILE . 1.7 ptm180 -53.49 -52.61 59.02 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.504 ' H ' ' HG3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -58.46 -37.85 76.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.25 . . . . 0.0 111.546 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.21 -43.56 51.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 HD23 ' HE1' ' A' ' 48' ' ' TRP . 3.6 mt -53.74 -51.79 62.21 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.466 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.852 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 31.7 t -66.0 -40.8 88.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.745 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' A' ' 43' ' ' SER . 62.2 t30 -52.01 -60.7 2.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.861 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.414 ' HE1' HD23 ' A' ' 45' ' ' LEU . 53.7 p-90 -68.12 -28.85 67.68 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.094 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' O ' HG12 ' A' ' 53' ' ' ILE . 33.7 t80 -60.81 -46.39 90.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.169 0.509 . . . . 0.0 109.897 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.852 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 18.1 mt -62.24 -41.3 98.3 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -62.7 -23.77 67.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.44 -25.59 28.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.616 ' O ' HG12 ' A' ' 57' ' ' ILE . 31.5 pt -112.78 -4.21 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 11.5 pt-20 -61.6 -21.97 64.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 m -90.1 -19.64 24.08 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.983 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.3 pt-20 -86.28 -29.5 23.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.882 HG23 ' HB2' ' A' ' 62' ' ' GLU . 37.4 mm -76.93 124.83 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.831 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -113.68 -23.64 9.61 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.48 0.657 . . . . 0.0 109.773 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.553 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 3.2 m -111.06 158.19 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.156 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -38.21 78.52 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.001 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.21 -45.72 83.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.793 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.882 ' HB2' HG23 ' A' ' 57' ' ' ILE . 15.8 mt-10 -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.74 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.7 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 9.7 tp -65.16 -48.29 74.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.686 ' HA ' HD11 ' B' ' 390' ' ' LEU . 96.8 mt -60.54 -40.6 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -47.88 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.737 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 70' ' ' ILE . 17.6 mmtm -62.68 -47.48 83.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.401 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.722 ' HZ1' HD11 ' A' ' 50' ' ' LEU . 58.1 mttt -67.88 -34.72 77.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.91 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 41.8 ttp180 -63.51 -44.3 94.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.359 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.31 -49.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.789 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.742 HG21 HG12 ' A' ' 46' ' ' VAL . 10.0 tp -56.16 -44.33 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.91 -37.22 67.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.248 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 31.0 ttpt -65.01 -37.62 88.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.98 -44.44 99.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.585 HG22 ' HB3' ' A' ' 42' ' ' ARG . 55.7 mt -65.12 -39.87 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.421 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.79 -36.65 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.522 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.741 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 44.3 ttp180 -71.53 -44.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.854 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 16.1 tp -56.95 -40.85 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.898 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.816 ' HA ' HD23 ' A' ' 84' ' ' LEU . 10.3 p -83.24 -2.1 54.76 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -132.1 -76.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.939 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.741 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 48.4 m-85 -61.66 -50.22 73.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.569 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.854 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 22.7 m-20 -65.34 -51.86 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 59.68 29.72 19.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.249 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.88 30.47 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 122.586 1.184 . . . . 0.0 109.736 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.816 HD23 ' HA ' ' A' ' 78' ' ' THR . 1.0 OUTLIER -90.44 160.47 16.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.546 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.766 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 10.2 mt -123.04 127.86 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.5 152.17 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 110.743 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 106' ' ' PRO . 95.9 mt -80.24 -85.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.525 ' H ' ' HG3' ' A' ' 106' ' ' PRO . 19.2 p -103.69 132.25 50.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.44 28.93 1.36 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.82 88.48 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.135 0.493 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.3 -54.96 4.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.5 mt 57.71 33.6 23.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.291 0.567 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -122.92 -55.7 1.78 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.348 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.95 40.75 16.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.203 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.8 40.32 0.98 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.061 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 t -150.32 138.61 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -108.22 7.2 27.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.101 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.79 -54.62 9.44 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.182 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -80.65 0.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.67 -91.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.121 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 50.01 41.79 23.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.272 0.558 . . . . 0.0 110.766 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -88.82 -29.23 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.143 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -97.76 -164.51 1.15 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.75 132.58 46.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.016 0.436 . . . . 0.0 110.295 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.16 132.51 23.33 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.525 ' HG3' ' H ' ' A' ' 88' ' ' THR . 92.3 Cg_endo -78.77 179.33 6.59 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.404 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -136.27 -161.64 1.18 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.715 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.482 HD21 HD13 ' A' ' 84' ' ' LEU . 74.0 mt -109.13 135.78 49.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.083 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.766 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 4.6 t -125.72 166.23 22.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.932 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.404 ' N ' HG12 ' A' ' 109' ' ' VAL . 11.8 p -126.47 139.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -67.94 136.21 92.06 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.84 -19.67 40.2 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.891 2.394 . . . . 0.0 112.339 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.82 62.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 109.23 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.422 ' CE1' HD11 ' A' ' 77' ' ' LEU . 56.4 t80 -94.15 119.92 33.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.659 ' H ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -95.18 172.09 8.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.13 177.73 5.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.952 0.406 . . . . 0.0 110.691 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.6 -51.45 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.139 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.179 -179.398 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.732 0.301 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -85.79 152.01 23.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 65.2 mt 55.22 43.29 29.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 42.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.37 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -77.58 172.68 55.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.501 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.77 100.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.322 0.561 . . . . 0.0 110.102 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 12.8 p 163.51 -41.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.804 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.557 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 9.4 tp60 -59.73 -32.76 70.84 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.833 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.67 -51.18 64.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.557 HD13 HG11 ' A' ' 46' ' ' VAL . 3.8 mt -83.57 -11.85 56.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 110.264 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' ' 64' ' ' ILE . 2.5 tp -85.13 -6.72 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.876 0.369 . . . . 0.0 110.488 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' B' ' 387' ' ' GLN . 6.2 mm-40 -64.91 -14.1 58.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.229 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.89 -22.67 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 109.671 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -62.06 -38.67 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.305 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 7.7 ptp180 -60.86 -29.42 69.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.22 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.09 -39.02 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.486 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -59.35 -35.96 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.493 179.285 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 7.0 tp10 -51.82 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.42 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.17 75.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.604 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -45.24 83.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.316 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -88.32 -22.91 23.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.112 0.482 . . . . 0.0 110.359 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . 0.616 ' HA ' ' HB3' ' B' ' 405' ' ' MET . 52.9 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.741 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.24 -13.7 60.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -84.58 -72.41 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -163.22 9.05 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.996 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' MET . . . . . 0.616 ' HB3' ' HA ' ' B' ' 401' ' ' GLN . 26.5 ttt -68.62 -24.52 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.157 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' THR . . . . . 0.448 ' HB ' ' H ' ' B' ' 407' ' ' ARG . 1.2 m 61.22 -87.59 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.796 0.438 . . . . 0.0 111.466 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.529 ' HG3' ' HG2' ' B' ' 405' ' ' MET . 6.6 mmm180 50.26 50.83 17.93 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.833 0.453 . . . . 0.0 111.429 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.855 -179.661 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.2 -28.05 72.97 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.845 2.363 . . . . 0.0 113.102 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 12.4 ttpp -92.79 19.65 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.15 0.5 . . . . 0.0 110.619 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.54 164.13 30.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -121.24 -70.0 0.81 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.842 0.353 . . . . 0.0 110.432 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.46 HD13 ' HB2' ' A' ' 118' ' ' ASP . 12.5 tp -136.71 -15.59 1.57 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 11' ' ' ARG . 52.7 mtm-85 -71.45 97.16 1.59 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 tp -154.95 -54.63 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.571 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.32 37.96 1.04 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.502 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' HB3' ' CB ' ' A' ' 17' ' ' TYR . 98.0 m-85 -124.97 67.06 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -47.91 84.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.25 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.6 71.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.67 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.497 ' CB ' ' HB3' ' A' ' 14' ' ' PHE . 1.9 t80 -58.4 -43.6 88.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.426 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.02 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.736 0.303 . . . . 0.0 111.596 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.5 -38.86 71.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.871 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.572 HG21 HG21 ' A' ' 73' ' ' VAL . 1.6 mp -77.78 -48.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.489 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 p -53.34 -44.96 68.9 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.602 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.507 ' HA ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -64.64 -37.22 86.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.79 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -60.08 -36.82 78.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 23' ' ' LEU . 3.1 mm -70.28 -51.91 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.507 HG13 ' HA ' ' A' ' 22' ' ' ASN . 7.2 p -66.69 -39.98 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.25 -47.36 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.653 0.263 . . . . 0.0 111.491 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -63.5 -42.46 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 112' ' ' PRO . 1.9 tm? -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.132 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 ptm180 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -72.75 -52.68 14.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.781 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.06 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -72.07 -27.9 62.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.087 -0.383 . . . . 0.0 111.546 -179.578 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.48 -39.13 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.26 -64.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.69 -8.11 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.9 m-20 61.29 32.99 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.235 0.54 . . . . 0.0 110.596 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -125.77 94.02 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.748 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.57 ' HB2' HG22 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -83.68 -23.6 31.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.128 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HB1' ' HB ' ' A' ' 109' ' ' VAL . . . -90.55 125.34 35.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.84 -164.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -88.36 130.28 35.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -28.83 65.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.4 -35.6 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.17 -53.35 44.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.608 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.0 -36.15 50.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -52.74 -59.15 4.84 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -67.49 -29.82 69.35 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.965 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -57.84 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.15 -42.64 68.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.728 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.78 -32.14 69.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.744 0.307 . . . . 0.0 111.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -69.6 -30.36 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.638 ' O ' HG12 ' A' ' 57' ' ' ILE . 33.5 pt -104.91 -8.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.55 -17.78 48.17 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.25 -28.35 47.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.1 pt-20 -98.3 -18.58 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.983 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.777 HG21 ' HB2' ' A' ' 63' ' ' LEU . 34.1 mm -67.67 114.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.599 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -110.72 -13.19 14.22 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 m -129.73 130.31 45.28 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.697 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -27.86 63.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -51.93 -39.35 59.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.52 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.46 -51.98 17.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.777 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.587 HG23 HD21 ' B' ' 390' ' ' LEU . 83.5 mt -62.88 -36.56 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.391 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' O ' HG12 ' A' ' 69' ' ' ILE . 4.0 t30 -64.41 -55.05 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.498 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 70' ' ' ILE . 20.3 mmtp -57.85 -44.89 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.993 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.595 ' HD2' ' HB3' ' B' ' 389' ' ' LEU . 2.1 tppt? -62.06 -44.94 95.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -62.7 -41.07 98.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 65' ' ' ASN . 49.1 mm -69.0 -51.26 45.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.538 HG21 HG21 ' A' ' 46' ' ' VAL . 7.7 tp -61.58 -41.07 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.87 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.75 -43.19 98.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -63.83 -41.95 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.585 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG21 HG21 ' A' ' 20' ' ' ILE . 74.9 t -64.24 -41.02 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.256 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -38.9 83.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.44 -35.76 81.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.635 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.772 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 45.2 ttm105 -72.35 -47.34 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.562 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -83.97 -15.62 47.12 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -124.4 -73.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.772 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 49.5 m-85 -50.98 -65.69 0.51 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.609 0.568 . . . . 0.0 111.534 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -70.15 -45.47 66.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.871 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 55.53 36.02 26.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.81 14.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.335 0.588 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.13 122.56 33.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.894 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.709 ' HB ' HG11 ' A' ' 109' ' ' VAL . 3.5 mt -90.46 132.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -146.81 141.67 26.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.349 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 106' ' ' PRO . 54.2 mt -67.45 -73.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.241 0.543 . . . . 0.0 110.04 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 t -139.71 142.85 36.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.526 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.553 ' HA ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -66.63 -24.45 66.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.62 112.83 3.36 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.095 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.14 -53.1 0.7 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.013 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.553 HD13 ' HA ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.34 -21.56 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 -179.532 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.456 ' HG2' HD12 ' A' ' 92' ' ' LEU . 58.7 mmtt -87.14 -35.69 18.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.486 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.19 56.14 1.86 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.716 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.19 101.67 5.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.915 0.388 . . . . 0.0 110.172 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -76.47 135.1 39.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.751 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 64.94 88.79 0.1 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.91 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.63 -142.41 5.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.666 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 m -67.27 -36.13 80.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.998 0.428 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.546 ' HB2' ' HD1' ' A' ' 102' ' ' TYR . 1.6 pt-20 -135.62 -72.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.97 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.412 ' H ' ' HG3' ' A' ' 100' ' ' GLU . 0.7 OUTLIER 55.81 28.22 12.04 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.544 0.528 . . . . 0.0 111.65 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.546 ' HD1' ' HB2' ' A' ' 100' ' ' GLU . 42.4 p90 -94.73 -15.38 23.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -87.81 -177.15 5.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' HB3' ' H ' ' A' ' 105' ' ' ASP . 8.0 mm-40 -89.19 -153.8 0.28 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.627 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 104' ' ' GLU . 21.6 t70 -101.22 108.65 55.84 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.094 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.433 ' HB3' HD12 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -92.04 -171.2 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.083 2.522 . . . . 0.0 112.615 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -137.05 -169.81 2.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.122 0.487 . . . . 0.0 111.512 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.07 122.89 47.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.134 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.709 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -125.35 139.19 51.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.065 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.489 HG12 ' HG ' ' A' ' 28' ' ' LEU . 7.7 p -110.54 155.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 113' ' ' ASN . 3.1 p-10 -62.94 152.49 83.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.653 ' HA ' HD13 ' A' ' 28' ' ' LEU . 50.7 Cg_endo -71.19 11.59 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.86 2.374 . . . . 0.0 112.675 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 111' ' ' ASN . 8.2 p30 -139.83 -156.83 0.71 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.9 t80 177.16 147.83 0.12 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.08 173.17 7.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 mt -116.5 154.92 29.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.6 -31.94 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.46 ' HB2' HD13 ' A' ' 10' ' ' LEU . 1.7 m-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.429 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.445 0.164 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 58.46 39.48 25.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.562 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.19 120.28 37.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.556 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 10.9 tttp 70.03 -70.54 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.96 0.787 . . . . 0.0 110.938 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.34 57.43 5.11 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.888 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -144.73 106.54 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.982 0.42 . . . . 0.0 111.31 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 16.0 m 71.88 -47.89 0.67 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.688 0.795 . . . . 0.0 112.775 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -59.34 -18.91 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.23 -30.43 64.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.8 0.333 . . . . 0.0 111.355 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.595 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 3.3 mm? -65.1 -48.18 74.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.587 HD21 HG23 ' A' ' 64' ' ' ILE . 18.5 tp -83.38 -8.86 59.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.598 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.91 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.236 0.541 . . . . 0.0 110.152 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.25 -36.23 77.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.106 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.476 ' HA ' ' HG3' ' B' ' 396' ' ' LYS . 1.4 mp -60.99 -35.58 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.838 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' B' ' 394' ' ' ARG . 1.7 mmm180 -68.96 -29.43 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.429 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -36.5 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.476 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -81.85 -10.51 59.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.578 -179.451 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -56.89 -53.94 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.466 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.75 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -69.62 -41.32 75.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -41.46 90.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -74.31 -62.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.429 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.06 -79.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 111.303 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -177.77 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.973 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -125.99 163.74 22.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.967 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 57.8 ttm -88.08 -41.35 13.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.379 . . . . 0.0 110.427 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 9.9 t 173.38 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.797 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 4.0 ttm180 -160.77 -161.82 0.88 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.357 179.852 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.04 97.02 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.467 2.111 . . . . 0.0 112.171 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -90.22 145.33 25.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.313 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.07 177.69 8.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.052 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -94.06 -80.35 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 tp -172.79 76.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.35 . . . . 0.0 110.22 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 4.7 ptm180 -150.92 6.82 0.52 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.066 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.71 -74.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.612 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.47 54.99 0.78 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.438 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 68.4 m-85 -124.93 29.39 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.777 0.322 . . . . 0.0 110.989 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -61.37 -40.0 92.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -70.86 -40.68 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -60.3 -48.59 81.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 6.1 t -59.95 -34.77 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.647 0.26 . . . . 0.0 110.763 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 13.5 tpt180 -70.34 -39.1 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.93 -49.37 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.645 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 m -58.12 -30.65 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.72 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -63.97 -33.39 75.63 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.154 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.18 -37.83 86.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.094 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.487 ' HA ' HD13 ' A' ' 24' ' ' ILE . 2.9 mm -59.59 -52.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.329 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.14 -43.51 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.75 -50.85 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' O ' HG22 ' A' ' 31' ' ' VAL . 43.2 t60 -62.32 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.823 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.35 -44.43 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 58.5 mtt180 -55.68 -42.33 75.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 111.09 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -72.08 -43.98 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.776 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG11 ' HA ' ' A' ' 38' ' ' SER . 75.1 t -64.92 -46.59 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.182 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.818 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.2 pt-20 -61.34 -28.35 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 110.663 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.16 -38.87 56.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.29 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 37' ' ' GLU . 6.8 pt-20 -109.83 -13.5 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.818 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 24.0 t70 71.89 -34.4 0.3 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.036 0.534 . . . . 0.0 112.407 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 35' ' ' GLU . 60.3 mt-10 -105.33 89.41 3.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.574 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.512 ' HA ' HG11 ' A' ' 31' ' ' VAL . 56.6 p -57.09 -46.13 82.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.672 ' HB3' ' CD2' ' A' ' 107' ' ' TYR . . . 52.41 -150.08 0.34 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.726 ' H ' ' HD2' ' A' ' 107' ' ' TYR . 1.4 tp -56.0 116.65 3.11 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -170.03 32.66 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.934 178.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -61.12 -50.97 71.07 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 45.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.76 -40.24 94.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.434 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -49.13 66.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.15 0.5 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.927 HG12 ' HG ' ' B' ' 389' ' ' LEU . 9.8 t -72.93 -38.94 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.292 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 65.5 t30 -49.59 -58.83 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.8 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -67.74 -29.87 69.2 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.896 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CD1' HD13 ' A' ' 23' ' ' LEU . 23.2 t80 -61.2 -46.69 89.42 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.392 0.615 . . . . 0.0 109.778 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.851 HD21 ' HZ2' ' A' ' 67' ' ' LYS . 17.9 mt -69.03 -42.92 75.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 24.8 mmtp -56.21 -30.46 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.532 0.52 . . . . 0.0 111.393 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.11 -52.89 5.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.01 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.562 ' O ' HG12 ' A' ' 57' ' ' ILE . 26.5 pt -70.72 -23.08 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 17.0 pt-20 -62.85 -13.31 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -70.38 -27.17 64.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.815 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -105.42 -9.21 17.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.034 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.808 HG23 ' HB2' ' A' ' 62' ' ' GLU . 44.8 mm -76.89 119.36 25.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.422 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 38.4 t70 -116.71 -15.3 10.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.354 0.597 . . . . 0.0 110.029 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.465 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -117.58 145.75 44.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.772 -178.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HB2' ' HZ3' ' B' ' 396' ' ' LYS . 33.6 tt0 -62.22 -37.96 87.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.9 -37.55 76.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.386 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.808 ' HB2' HG23 ' A' ' 57' ' ' ILE . 24.9 mt-10 -63.24 -46.63 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.452 0.644 . . . . 0.0 109.986 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD23 HG12 ' B' ' 393' ' ' ILE . 7.4 tp -64.29 -44.44 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 96.7 mt -65.27 -44.63 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.726 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.7 -51.68 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.557 ' HG3' HD11 ' A' ' 53' ' ' ILE . 33.5 mmtm -58.56 -43.4 89.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.976 ' HD3' HD12 ' B' ' 390' ' ' LEU . 16.9 mttp -68.78 -32.12 71.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.316 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -75.95 -36.8 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.796 0.332 . . . . 0.0 111.377 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.7 mm -73.14 -43.01 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.741 0.305 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -60.86 -40.98 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.84 -28.88 64.92 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.194 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -67.41 -48.52 67.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.41 -38.98 82.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.944 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.77 -43.7 98.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 109.935 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.35 -36.6 84.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.467 0.651 . . . . 0.0 109.371 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.799 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 10.8 ttm180 -66.06 -40.46 90.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.855 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 59.1 tp -62.51 -29.15 70.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.48 HG23 HD11 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.23 4.25 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -144.78 -70.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.865 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.799 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 62.2 m-85 -60.72 -55.33 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.813 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.592 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 74.8 m-20 -64.83 -45.84 84.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t60 61.99 19.83 11.07 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.162 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 ' HB3' ' A' ' 81' ' ' ASP . 7.4 m -101.51 18.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 122.096 -0.377 . . . . 0.0 110.965 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.724 HD21 HD12 ' A' ' 108' ' ' LEU . 1.4 tt -92.31 130.09 38.09 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.815 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 12.1 mt -96.05 132.35 40.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.245 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -139.13 128.29 23.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.176 0.512 . . . . 0.0 110.42 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.2 mt -101.66 -148.6 0.37 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.611 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.7 p -105.81 173.1 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 101' ' ' SER . 20.8 tt0 -111.41 -20.95 12.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.73 -29.37 21.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.045 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.88 45.2 3.3 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.051 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.501 HD12 ' HE1' ' A' ' 107' ' ' TYR . 33.6 mt -122.28 92.9 3.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.658 0.266 . . . . 0.0 110.718 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 93' ' ' LYS . 18.5 tptp 61.05 24.93 15.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.838 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.14 -170.04 24.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.44 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.0 m -140.83 147.89 39.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.641 0.258 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.13 -44.04 16.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -159.1 108.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.96 177.67 25.53 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.719 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 m -116.04 -80.72 0.6 Allowed 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.917 -0.166 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.61 -102.73 0.12 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.639 0.587 . . . . 0.0 111.694 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.426 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 19.7 m 55.61 49.02 17.34 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.198 0.523 . . . . 0.0 111.225 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -105.77 -22.99 12.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.54 -50.01 55.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.961 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -102.58 154.24 19.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.541 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.415 ' OD2' HD22 ' A' ' 108' ' ' LEU . 16.4 p-10 -89.66 152.28 46.81 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.28 -152.62 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.005 2.47 . . . . 0.0 113.702 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.726 ' HD2' ' H ' ' A' ' 40' ' ' LEU . 77.1 m-85 -74.81 126.71 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.724 HD12 HD21 ' A' ' 84' ' ' LEU . 1.3 mm? -95.82 119.88 35.09 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.22 0.533 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.815 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 2.1 t -118.04 160.4 17.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.084 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 77' ' ' LEU . 13.0 p -128.21 148.45 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.372 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -78.59 146.01 68.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.148 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.03 -22.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.78 2.32 . . . . 0.0 112.906 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -103.68 82.2 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.407 0.623 . . . . 0.0 110.522 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.408 ' HE1' HD12 ' A' ' 77' ' ' LEU . 60.3 t80 -80.6 140.8 35.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.191 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -116.01 177.08 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.85 -179.9 3.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.292 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -59.74 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.074 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.793 -179.347 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.721 0.296 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.54 61.8 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.743 HD22 HG13 ' B' ' 385' ' ' VAL . 44.4 tp -90.8 141.79 28.44 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -89.93 25.39 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -157.45 55.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.731 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.743 HG13 HD22 ' B' ' 382' ' ' LEU . 0.0 OUTLIER -128.31 121.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.939 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.417 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -68.1 -19.44 64.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.653 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -57.0 -36.16 70.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -39.35 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.384 0.612 . . . . 0.0 110.382 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.927 ' HG ' HG12 ' A' ' 46' ' ' VAL . 1.7 mm? -84.14 -19.08 34.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.976 HD12 ' HD3' ' A' ' 67' ' ' LYS . 1.4 tp -73.51 -6.26 45.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.74 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 35.9 mt-10 -62.55 -16.24 55.09 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.416 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.537 ' HD3' ' HE2' ' A' ' 51' ' ' LYS . 31.2 tpt180 -84.16 -23.98 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.318 0.58 . . . . 0.0 110.186 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.785 HG12 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -62.1 -33.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.403 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 12.1 ptp180 -62.31 -23.61 66.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -84.89 -31.93 23.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.436 ' HZ3' ' HB2' ' A' ' 60' ' ' GLU . 6.3 tmtt? -66.49 -30.45 70.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 12.1 mm-40 -54.74 -41.97 71.05 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.594 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.58 68.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -62.43 -40.3 96.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 58' ' ' ASP . 42.2 mmtt -94.25 1.82 55.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.875 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' B' ' 397' ' ' GLU . 1.5 tt0 -71.54 -7.88 50.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.94 -70.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 50.08 -119.16 1.27 Allowed 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.633 0.583 . . . . 0.0 111.163 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 170.86 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.4 -14.91 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.336 0.589 . . . . 0.0 110.117 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.1 p -88.96 98.9 12.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.96 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.47 0.652 . . . . 0.0 109.496 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.455 179.602 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.333 0.111 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.65 -33.61 12.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.589 2.192 . . . . 0.0 111.634 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -148.17 121.26 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.894 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.17 146.3 23.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m 70.19 118.18 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.891 0.744 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt 59.31 69.06 0.75 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.356 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -81.56 -69.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.096 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -155.74 151.37 27.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.338 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' N ' HD13 ' A' ' 12' ' ' LEU . . . 66.78 64.18 3.45 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.499 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -141.8 24.24 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.626 0.251 . . . . 0.0 110.996 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -55.34 -48.59 73.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -39.87 95.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -58.54 -47.57 83.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 9.3 m -62.61 -36.75 83.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.505 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.3 tpt180 -65.9 -37.13 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.435 HD13 ' HD3' ' A' ' 66' ' ' LYS . 1.2 mp -76.49 -49.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.426 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.529 ' O ' HG23 ' A' ' 24' ' ' ILE . 6.0 m -61.67 -34.06 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.712 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 18' ' ' SER . 37.1 t30 -63.53 -32.62 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.974 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -57.4 -44.28 84.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.647 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 9.1 tp -67.62 -33.75 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.549 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -75.95 -45.69 36.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.994 0.426 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 34.9 mt -62.68 -48.84 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.255 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' O ' HG23 ' A' ' 31' ' ' VAL . 29.7 t60 -69.3 -36.55 77.12 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.106 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.0 -49.18 71.24 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.868 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.8 ptm180 -59.38 -31.83 69.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.673 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -72.16 -43.66 64.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.585 HG22 HD23 ' A' ' 40' ' ' LEU . 44.2 t -64.53 -46.51 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.192 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 3.3 pt-20 -63.25 -28.93 70.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -79.75 -31.98 41.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.002 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -81.54 -67.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.618 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 7.1 pt-20 -103.65 -17.46 15.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 16.4 t70 72.06 -8.1 1.2 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.978 0.418 . . . . 0.0 111.852 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.01 -39.07 79.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.256 0.551 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB3' HD12 ' A' ' 28' ' ' LEU . 7.2 m 60.95 19.53 9.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.515 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.57 104.87 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 HG22 ' A' ' 31' ' ' VAL . 1.5 mm? -107.25 -169.06 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.499 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB2' ' CB ' ' A' ' 44' ' ' GLU . 73.0 mmtt -97.81 141.35 30.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -57.33 -55.68 31.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.336 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -30.34 70.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.663 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' CB ' ' HB2' ' A' ' 41' ' ' LYS . 35.9 tt0 -59.05 -50.03 75.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.744 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.505 HD13 ' HE1' ' A' ' 48' ' ' TRP . 1.6 mm? -52.35 -47.47 66.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 111.425 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.824 HG11 HD11 ' B' ' 389' ' ' LEU . 24.2 t -72.85 -42.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -49.71 -56.78 8.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.727 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.505 ' HE1' HD13 ' A' ' 45' ' ' LEU . 50.9 p-90 -69.1 -28.11 66.2 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.043 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.515 ' CD1' HD11 ' A' ' 23' ' ' LEU . 26.2 t80 -62.38 -47.55 83.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 109.532 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.911 HD11 ' HE3' ' A' ' 67' ' ' LYS . 13.8 mt -64.41 -43.91 92.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.494 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.52 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 16.1 mmtt -59.04 -27.32 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.367 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.48 -50.88 8.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 57' ' ' ILE . 30.3 pt -68.38 -26.08 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.987 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.605 ' HG3' HD12 ' A' ' 63' ' ' LEU . 5.1 mt-10 -63.19 -15.86 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -85.14 -15.25 44.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 8.2 pt-20 -114.32 -31.07 6.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.616 0.246 . . . . 0.0 111.236 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.805 HG22 ' HB2' ' A' ' 63' ' ' LEU . 24.6 mm -62.36 118.56 4.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.215 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' HB2' ' HB ' ' B' ' 406' ' ' THR . 36.2 t70 -108.47 -13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.186 0.517 . . . . 0.0 110.585 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 1.4 m -118.76 130.47 55.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.121 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.77 -36.13 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.739 -0.209 . . . . 0.0 111.287 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.65 -43.03 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.578 0.549 . . . . 0.0 110.073 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.4 mm-40 -62.58 -55.56 26.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.689 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.805 ' HB2' HG22 ' A' ' 57' ' ' ILE . 12.1 tp -59.51 -51.46 69.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.791 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.686 ' HA ' HD13 ' B' ' 390' ' ' LEU . 65.4 mt -56.9 -39.19 63.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.17 -49.45 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.709 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HD3' HD13 ' A' ' 20' ' ' ILE . 17.6 mmtp -56.55 -44.98 81.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.911 ' HE3' HD11 ' A' ' 50' ' ' LEU . 36.3 mttp -65.97 -32.92 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.28 -44.32 59.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -63.87 -49.81 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.267 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.619 HG22 HG12 ' A' ' 46' ' ' VAL . 9.2 tp -56.54 -41.91 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.527 0.203 . . . . 0.0 111.0 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' HG3' ' CB ' ' B' ' 386' ' ' SER . 0.3 OUTLIER -68.19 -44.82 75.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.12 0.486 . . . . 0.0 110.018 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.574 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.7 -43.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.514 ' HA ' HD21 ' A' ' 77' ' ' LEU . 97.0 mt -62.34 -40.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.13 0.491 . . . . 0.0 109.694 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.908 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.798 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 3.3 ttt180 -68.56 -44.5 74.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.58 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.699 HD11 HD22 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -65.51 -32.61 74.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.97 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.545 HG21 ' HG ' ' A' ' 84' ' ' LEU . 4.1 p -86.37 -1.42 57.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -135.23 -71.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.952 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.798 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.7 m-85 -61.27 -57.56 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.775 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.664 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 62.3 m-20 -67.19 -46.99 72.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.85 0.357 . . . . 0.0 110.069 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.56 33.07 11.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.445 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.47 10.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.235 0.54 . . . . 0.0 110.316 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.699 HD22 HD11 ' A' ' 77' ' ' LEU . 1.3 tm? -91.0 130.55 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.446 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.886 ' HB ' HG11 ' A' ' 109' ' ' VAL . 12.8 mt -98.04 120.4 47.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.819 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -146.0 142.37 28.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.068 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.403 ' HB3' ' H ' ' A' ' 88' ' ' THR . 30.5 mt -95.27 -149.97 0.31 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.135 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.403 ' H ' ' HB3' ' A' ' 87' ' ' LEU . 14.3 t -63.7 136.01 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.104 0.478 . . . . 0.0 110.986 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -71.86 -29.98 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 115.17 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.81 -11.73 27.44 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.837 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.0 mt -84.08 -26.24 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -100.07 -48.29 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.81 6.93 20.55 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -56.71 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.068 0.461 . . . . 0.0 110.289 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 t -107.67 133.81 51.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.195 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.52 -38.15 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.514 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.38 -138.98 15.71 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.965 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -120.29 -63.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.636 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.567 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 75.2 mm-40 -115.43 -76.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.838 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.9 m 54.04 41.83 31.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.23 0.538 . . . . 0.0 110.602 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 23.2 p90 -87.82 -8.81 55.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.225 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.59 -174.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.263 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.545 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 24.8 mm-40 -79.58 -163.26 0.5 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.8 m-20 -88.05 105.47 9.28 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 104' ' ' GLU . 12.0 Cg_endo -89.26 -68.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.865 2.377 . . . . 0.0 112.132 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 108' ' ' LEU . 48.1 m-85 57.91 -122.1 1.4 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.515 HD13 HD11 ' A' ' 84' ' ' LEU . 1.6 mm? -120.05 122.43 41.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.666 0.27 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.886 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -137.62 138.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 111' ' ' ASN . 14.8 p -126.24 157.13 36.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.419 -0.176 . . . . 0.0 110.717 -178.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 110' ' ' VAL . 26.4 p-10 -96.16 137.37 21.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.743 0.306 . . . . 0.0 110.193 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.55 -2.4 8.31 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.4 2.733 . . . . 0.0 113.095 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.99 -46.83 15.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 t80 53.91 -150.36 0.39 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.988 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.12 19.55 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -99.53 136.79 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.94 -32.69 74.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.359 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.302 179.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.678 0.275 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.43 143.78 51.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.896 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.84 88.6 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.48 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -79.5 71.16 6.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.59 0.709 . . . . 0.0 110.414 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -163.21 -49.0 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 20.2 m -72.73 130.76 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.4 ' CB ' ' HG3' ' A' ' 71' ' ' GLU . 15.2 m 68.03 -3.29 1.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.823 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' B' ' 391' ' ' GLU . 6.6 tt0 -71.42 -35.8 71.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.107 0.479 . . . . 0.0 110.165 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' B' ' 391' ' ' GLU . 9.2 p-10 -61.44 -20.6 63.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.099 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.824 HD11 HG11 ' A' ' 46' ' ' VAL . 32.3 mt -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.686 HD13 ' HA ' ' A' ' 64' ' ' ILE . 7.6 tp -84.15 -23.06 30.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.633 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.508 ' HB2' ' HA ' ' B' ' 388' ' ' ASP . 35.0 mt-10 -65.1 -29.22 70.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.44 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -60.13 -29.66 68.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.499 0.666 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.753 HD13 ' HD2' ' A' ' 67' ' ' LYS . 58.3 mt -61.77 -24.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.779 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -59.1 -36.46 75.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 0.0 110.42 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -92.48 -13.02 30.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.429 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 11.0 tttm -76.53 -17.26 59.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.27 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.57 -34.41 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.478 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' B' ' 400' ' ' LYS . 0.0 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -68.11 -26.87 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.2 21.33 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.267 0.556 . . . . 0.0 111.163 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -105.97 162.87 13.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -98.97 -116.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 47.4 ttm -97.58 -36.57 10.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' THR . . . . . 0.649 ' HB ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 m 67.13 -63.74 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.031 0.832 . . . . 0.0 112.837 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 168.16 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.381 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.576 -0.726 . . . . 0.0 110.363 179.694 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.46 146.13 61.07 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.314 2.009 . . . . 0.0 111.993 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.27 126.38 35.82 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.89 123.12 49.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -81.56 -171.55 3.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.06 -0.57 28.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -76.01 94.59 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.095 0.474 . . . . 0.0 109.98 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -165.62 -69.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 2.96 11.45 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.431 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.641 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 22.1 m-85 -102.95 72.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.899 0.381 . . . . 0.0 110.282 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -66.64 -44.39 82.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.32 -48.45 67.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.843 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.641 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 23.3 m-85 -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.762 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -66.02 -40.13 90.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.204 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -58.69 -48.76 80.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.549 ' CG2' HG22 ' A' ' 73' ' ' VAL . 1.4 mp -65.96 -46.67 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -58.6 -38.03 77.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.428 HD21 ' HA ' ' A' ' 22' ' ' ASN . 1.8 t-20 -64.78 -39.64 93.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 109.629 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.43 -38.4 80.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.512 178.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.526 ' N ' HD11 ' A' ' 23' ' ' LEU . 4.7 mm -63.11 -52.26 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.36 -36.18 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.587 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.1 mt -68.28 -50.52 53.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.468 ' O ' HG21 ' A' ' 31' ' ' VAL . 66.6 t60 -57.8 -47.78 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.652 HD21 HG11 ' A' ' 110' ' ' VAL . 39.3 tp -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.4 ptm180 -62.37 -32.26 73.03 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.659 0.266 . . . . 0.0 110.767 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.76 -43.99 62.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.184 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 27' ' ' HIS . 38.9 t -58.4 -53.37 47.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.743 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.3 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 111.193 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.42 -24.71 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -90.81 -61.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' HG3' ' HB2' ' A' ' 37' ' ' GLU . 13.4 pt-20 -106.7 -1.89 22.24 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.8 m-20 65.53 12.81 8.47 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 21.3 mt-10 -122.53 92.88 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.581 0.229 . . . . 0.0 110.615 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.572 ' HB2' HG22 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.14 -15.44 62.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.514 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 107' ' ' TYR . . . -81.61 103.42 11.31 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.11 -163.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -95.92 142.99 27.5 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.983 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HG3' HG23 ' A' ' 74' ' ' ILE . 54.1 ttt180 -75.07 -44.32 48.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.546 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -60.79 -37.98 83.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 111.067 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.81 -32.25 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.674 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.8 t -71.99 -35.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.536 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -55.9 -58.07 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.68 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.4 ' HZ2' ' HB2' ' A' ' 27' ' ' HIS . 27.7 p-90 -67.64 -29.33 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.992 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.438 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t80 -59.4 -50.55 73.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.145 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' ' 67' ' ' LYS . 14.5 mt -62.73 -40.64 97.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.193 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -28.61 68.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.089 0.471 . . . . 0.0 111.438 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.25 -41.72 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.592 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.647 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.4 pt -73.69 -25.47 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.28 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.576 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 7.7 pt-20 -59.27 -21.84 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.698 0.285 . . . . 0.0 111.476 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -68.42 -19.72 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.707 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 -116.74 -6.35 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.772 HD12 ' HB3' ' A' ' 62' ' ' GLU . 23.5 mm -84.64 108.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -17.21 20.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.259 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -120.8 134.79 55.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.244 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.44 72.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.471 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -56.29 -40.29 74.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.281 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.772 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.3 mm-40 -62.58 -50.37 71.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.748 ' HB2' HG22 ' A' ' 57' ' ' ILE . 34.9 tp -61.53 -35.84 78.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.715 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.645 ' HA ' HD12 ' B' ' 390' ' ' LEU . 87.9 mt -69.95 -45.76 75.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.103 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.02 -48.02 82.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.078 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -59.15 -36.38 75.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.808 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HD2' HD11 ' B' ' 390' ' ' LEU . 0.8 OUTLIER -68.05 -38.75 82.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.417 . . . . 0.0 110.343 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -64.43 -45.19 88.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.911 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -50.46 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.606 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.547 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -58.2 -40.45 77.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.586 0.231 . . . . 0.0 111.401 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.31 -41.0 67.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 0.0 110.061 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.59 -47.46 86.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.504 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.549 HG22 ' CG2' ' A' ' 20' ' ' ILE . 32.0 m -64.09 -36.23 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.124 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 70' ' ' ILE . 76.8 mt -69.71 -36.24 69.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -68.26 -38.04 81.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.599 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 25.4 ttp180 -67.7 -41.01 84.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 41.1 tp -63.1 -41.77 99.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.481 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.761 HG22 HD12 ' A' ' 84' ' ' LEU . 7.7 p -80.33 4.69 17.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -139.09 -69.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.624 -0.43 . . . . 0.0 112.006 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.599 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 83.6 m-85 -64.64 -56.6 12.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.689 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -57.98 -50.54 73.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.62 19.18 11.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.46 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG13 HD13 ' A' ' 115' ' ' LEU . 15.8 m -97.52 20.8 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.708 0.766 . . . . 0.0 110.253 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.761 HD12 HG22 ' A' ' 78' ' ' THR . 1.3 pt? -90.89 153.64 20.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.86 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.88 ' HB ' HG13 ' A' ' 109' ' ' VAL . 11.3 mt -124.08 136.92 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 98.24 5.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' A' ' 85' ' ' ILE . 2.2 pp 171.78 177.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.24 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.49 ' C ' ' HG3' ' A' ' 89' ' ' GLN . 14.5 t -147.92 -0.36 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.49 ' HG3' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER 41.03 29.1 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.481 1.112 . . . . 0.0 113.541 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.406 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 112.34 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.33 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.24 -5.95 81.33 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.261 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD11 ' H ' ' A' ' 88' ' ' THR . 93.9 mt -73.3 -29.44 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -117.93 -53.59 2.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.7 141.72 12.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.786 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -119.12 130.59 55.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.835 0.35 . . . . 0.0 110.137 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.6 m -87.81 -56.75 3.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.17 -47.11 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.681 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.91 -149.4 7.69 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.4 m 62.36 99.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.487 . . . . 0.0 111.538 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.496 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 48.6 mt-10 -120.53 -74.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.966 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 m 56.17 31.12 17.72 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.006 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.496 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 40.4 p90 -80.74 -20.31 43.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.969 0.414 . . . . 0.0 110.491 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.53 -6.21 50.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.093 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.545 ' HG3' ' H ' ' A' ' 105' ' ' ASP . 3.8 tp10 -120.46 -178.26 3.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.66 ' HB3' HD13 ' B' ' 382' ' ' LEU . 12.5 p-10 -75.2 153.27 86.26 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.333 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -65.93 -176.91 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.821 2.348 . . . . 0.0 112.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.696 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 42.6 m-85 -93.11 152.69 19.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.02 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 125.06 46.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.149 0.499 . . . . 0.0 110.973 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.88 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -136.76 142.9 36.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.705 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.652 HG11 HD21 ' A' ' 28' ' ' LEU . 10.9 p -115.77 146.97 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -67.95 142.33 95.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.358 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.13 -10.83 22.3 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.086 2.524 . . . . 0.0 112.785 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -69.92 -78.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.103 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.3 t80 65.99 142.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.621 0.724 . . . . 0.0 112.251 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.52 HD13 HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.49 177.87 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.9 mt -121.35 171.46 8.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.795 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.04 -65.62 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.848 -0.16 . . . . 0.0 110.966 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--O 1.25 1.11 0 O-C-N 123.608 0.568 . . . . 0.0 111.252 179.612 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.618 0.246 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -143.81 131.46 21.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.66 HD13 ' HB3' ' A' ' 105' ' ' ASP . 4.4 mp -104.0 11.9 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . 0.432 ' HE3' ' HG2' ' A' ' 42' ' ' ARG . 12.0 tmtt? -63.49 100.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.574 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -99.32 -28.36 7.65 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.936 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.49 ' HA ' ' OD2' ' B' ' 388' ' ' ASP . 7.9 m -74.8 103.73 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 0.0 110.403 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' B' ' 389' ' ' LEU . 65.3 m -134.02 -67.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.113 -0.367 . . . . 0.0 111.649 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -68.7 -28.06 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.106 0.479 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.49 ' OD2' ' HA ' ' B' ' 385' ' ' VAL . 3.5 p30 -70.55 -8.73 53.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' B' ' 386' ' ' SER . 5.3 mp -66.29 -21.4 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.306 0.574 . . . . 0.0 110.296 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.896 HD11 ' HD2' ' A' ' 67' ' ' LYS . 1.2 tp -86.93 -7.12 58.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.612 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' B' ' 388' ' ' ASP . 23.0 mt-10 -64.01 -29.02 70.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.189 0.519 . . . . 0.0 110.513 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -65.45 -28.17 69.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.5 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . . . . . . . . . 12.8 mm -68.41 -23.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.213 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 394' ' ' ARG . 55.5 mtt85 -62.88 -28.67 70.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.56 -29.21 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.543 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -69.53 -39.39 77.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.84 -35.21 72.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.688 0.28 . . . . 0.0 110.851 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.83 73.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.045 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . 0.577 ' HA ' ' HA ' ' B' ' 403' ' ' ALA . 49.2 mt-30 -66.48 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.475 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -37.79 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -92.82 -65.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.952 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 85.5 mt -108.68 -79.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 110.886 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . 0.577 ' HA ' ' HA ' ' B' ' 399' ' ' GLN . . . -175.0 -162.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.765 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -68.29 100.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.215 0.531 . . . . 0.0 109.845 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 86.3 mmm -83.44 -6.97 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.004 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 22.5 m -68.28 116.62 9.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.996 0.427 . . . . 0.0 110.205 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -101.14 -0.07 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.92 -179.118 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.06 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.422 0.153 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 24.8 Cg_exo -63.37 -62.5 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.915 2.41 . . . . 0.0 111.718 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -98.78 141.15 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.201 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.72 93.42 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.657 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -71.27 -31.76 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.027 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 32.2 mt 53.14 52.49 13.59 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -129.28 41.85 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.138 0.494 . . . . 0.0 110.423 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.625 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 48.3 mt -142.33 -54.51 0.43 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.76 -88.46 0.11 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.008 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.625 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER 34.88 66.22 0.31 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.067 0.947 . . . . 0.0 112.561 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -25.85 64.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG2' HD22 ' A' ' 65' ' ' ASN . 1.7 mp0 -64.84 -44.09 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.884 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.08 -40.82 86.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -61.79 -40.11 94.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.912 0.387 . . . . 0.0 110.374 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.436 HG22 HG23 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -63.25 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.645 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.503 ' HB3' HD21 ' A' ' 116' ' ' LEU . 9.3 m -64.45 -35.02 79.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 18' ' ' SER . 27.7 t30 -62.18 -36.26 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.12 -37.49 80.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.883 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' ' 24' ' ' ILE . 4.2 mm -62.93 -53.15 50.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.871 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.41 -39.87 72.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.402 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 30.7 mt -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.609 0.243 . . . . 0.0 111.507 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.501 ' HD2' HD22 ' A' ' 40' ' ' LEU . 72.3 t60 -66.58 -41.05 89.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 38' ' ' SER . 2.4 tm? -60.33 -50.78 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.269 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.633 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 4.5 ptm180 -66.5 -30.06 70.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.421 . . . . 0.0 111.188 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -68.13 -48.91 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.56 -32.51 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.484 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.65 -28.73 61.93 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.574 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -89.03 -44.31 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -84.33 -64.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 0.0 111.945 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -75.6 -14.56 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.762 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.1 t0 58.1 32.75 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -143.18 104.96 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.51 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.584 ' HB3' HD22 ' A' ' 28' ' ' LEU . 15.6 m -74.78 3.85 7.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.104 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.87 116.48 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.349 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD22 ' HD2' ' A' ' 27' ' ' HIS . 1.1 pp -126.22 160.75 29.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -89.83 120.77 31.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.492 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.55 -40.5 71.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.072 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -71.23 -32.97 69.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.97 0.414 . . . . 0.0 110.898 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -76.01 -36.1 59.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 HD23 HD12 ' A' ' 74' ' ' ILE . 39.4 tp -56.21 -49.46 74.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.574 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.763 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.7 t -71.11 -32.26 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -54.31 -60.56 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.992 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.404 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 58.4 p-90 -67.24 -28.8 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.338 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.447 ' CD1' HD12 ' A' ' 23' ' ' LEU . 21.5 t80 -60.52 -45.5 93.58 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.763 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -71.84 -42.3 67.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.004 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -59.01 -27.28 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.904 0.383 . . . . 0.0 111.145 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 60.0 mm-40 -85.02 -48.85 8.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.684 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.8 pt -70.54 -27.44 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.941 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 7.5 pt-20 -60.12 -22.28 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -72.92 -22.18 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.58 -17.28 13.77 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.873 HG23 ' HB2' ' A' ' 63' ' ' LEU . 31.8 mm -70.37 107.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.29 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.27 -7.38 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -124.77 130.34 52.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.425 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.99 -36.28 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.99 -34.85 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.067 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.762 ' HB3' HD13 ' A' ' 57' ' ' ILE . 7.3 mm-40 -64.25 -49.3 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.501 0.667 . . . . 0.0 109.897 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.961 ' HG ' ' HZ2' ' A' ' 67' ' ' LYS . 13.0 tp -64.67 -44.69 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.38 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.85 -44.62 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.41 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.4 HD22 ' HG2' ' A' ' 16' ' ' GLU . 3.2 t30 -63.99 -50.71 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.287 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -56.93 -42.32 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.627 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.961 ' HZ2' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -70.54 -37.66 74.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.624 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -59.93 -41.55 92.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.045 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.436 HG23 HG22 ' A' ' 20' ' ' ILE . 36.4 mt -72.71 -50.22 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.387 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.678 HG21 ' HA ' ' A' ' 67' ' ' LYS . 10.4 tp -59.81 -39.44 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -36.74 73.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.19 -50.83 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.652 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.65 -36.99 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.972 ' HA ' HD22 ' A' ' 77' ' ' LEU . 74.8 mt -68.6 -47.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -63.7 -36.2 83.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.353 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.753 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 11.2 ttt180 -71.07 -46.19 62.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.972 HD22 ' HA ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -55.75 -34.08 64.88 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.498 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.52 HG21 ' O ' ' A' ' 74' ' ' ILE . 1.3 t -92.13 -36.86 13.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -85.21 -72.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 38.9 m-85 -65.4 -51.31 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.073 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -74.65 -33.37 62.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m170 58.84 36.63 24.79 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.069 0.938 . . . . 0.0 108.54 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.695 ' CG1' ' HG3' ' A' ' 112' ' ' PRO . 1.0 OUTLIER -91.04 -13.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 113.812 -1.54 . . . . 0.0 111.431 -177.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.479 HD13 HD12 ' A' ' 77' ' ' LEU . 20.2 tp -89.16 141.04 28.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.323 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.899 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.6 mp -108.26 136.37 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -133.01 117.72 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.21 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.672 ' O ' ' HB ' ' A' ' 88' ' ' THR . 48.7 mt -153.11 -161.89 1.37 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.693 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 1.1 t 163.04 6.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.979 0.512 . . . . 0.0 111.136 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.693 ' HG3' ' O ' ' A' ' 88' ' ' THR . 0.0 OUTLIER 47.5 25.11 0.58 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.679 1.192 . . . . 0.0 113.739 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.4 113.48 8.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.23 -52.6 4.32 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.562 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 88' ' ' THR . 1.3 pp -81.82 12.62 3.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.333 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -151.68 -56.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.422 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.07 169.47 32.0 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.954 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 m -104.2 91.11 3.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.054 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -72.04 126.08 28.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -93.55 -40.33 10.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.375 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.18 -26.58 30.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.515 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.59 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 11.7 t -76.44 153.54 35.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -52.51 -48.32 66.09 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.601 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m 54.08 40.16 31.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.404 0.621 . . . . 0.0 110.946 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -75.37 -24.2 57.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.484 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -73.12 143.93 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 111.366 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.64 -22.7 2.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.495 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -101.1 149.39 36.21 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.934 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.7 166.65 19.34 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 121.578 1.519 . . . . 0.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -112.49 136.57 51.84 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.071 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.465 HD12 HD11 ' B' ' 382' ' ' LEU . 68.7 mt -96.25 136.53 36.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 112.476 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.899 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -145.93 142.47 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.005 178.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.457 HG22 ' HD3' ' A' ' 112' ' ' PRO . 3.3 p -125.63 103.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.523 HD22 HD13 ' A' ' 28' ' ' LEU . 18.6 m120 -143.91 70.1 16.7 Favored Pre-proline 0 CA--C 1.507 -0.69 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.417 176.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.695 ' HG3' ' CG1' ' A' ' 83' ' ' VAL . 23.7 Cg_endo -94.82 11.75 1.59 Allowed 'Trans proline' 0 N--CA 1.442 -1.549 0 N-CA-C 107.117 -1.916 . . . . 0.0 107.117 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 60.16 55.53 3.64 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -35.85 130.51 0.59 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 112.54 -2.118 . . . . 0.0 113.007 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.617 ' H ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -96.45 -168.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.846 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER 73.86 131.22 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.987 0.898 . . . . 0.0 111.81 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -133.72 -32.97 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.702 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.276 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.789 0.328 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.07 136.37 44.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.1 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.465 HD11 HD12 ' A' ' 108' ' ' LEU . 5.8 mp 55.48 55.16 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.531 0.52 . . . . 0.0 110.858 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -72.11 -65.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -120.96 39.33 2.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.522 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.423 ' C ' ' H ' ' B' ' 387' ' ' GLN . 29.1 m -69.54 160.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.722 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.778 ' HA ' HD21 ' B' ' 389' ' ' LEU . 17.1 m 74.68 -33.37 0.24 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.58 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.423 ' H ' ' C ' ' B' ' 385' ' ' VAL . 16.0 mm100 -63.16 -31.69 72.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.084 0.468 . . . . 0.0 110.635 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.69 -28.44 66.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' B' ' 386' ' ' SER . 1.4 mm? -67.48 -42.88 82.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.048 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.564 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 15.2 tp -79.48 -22.31 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.487 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.602 ' HG3' ' HD3' ' B' ' 394' ' ' ARG . 31.7 tt0 -64.59 -24.28 67.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.065 0.46 . . . . 0.0 110.009 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.486 HH22 ' CD ' ' A' ' 54' ' ' GLU . 58.1 ttt180 -61.63 -28.97 69.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 109.637 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.5 mp -61.22 -31.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.981 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.602 ' HD3' ' HG3' ' B' ' 391' ' ' GLU . 19.4 mtp180 -70.11 -25.41 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -90.25 -39.15 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.624 ' HZ1' ' HG3' ' B' ' 400' ' ' LYS . 0.0 OUTLIER -80.74 -7.37 59.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.318 -179.029 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.89 -31.35 70.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.22 74.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -74.5 -41.76 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.072 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' B' ' 400' ' ' LYS . 2.6 mmpt? -74.21 -12.11 60.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -68.89 -34.58 75.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 47.8 mt -90.0 -61.47 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.717 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 55.44 -138.74 1.03 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.54 -54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.21 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 10.9 ttt -106.33 -45.37 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 111.525 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 6.5 m -141.43 144.08 34.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -69.81 158.8 34.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.215 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.85 113.02 2.18 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.835 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 19.0 ttpt -127.66 -68.4 0.78 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.238 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.17 147.1 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.757 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -122.5 -43.85 2.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.6 4.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -79.22 -62.1 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.177 -0.327 . . . . 0.0 111.296 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -149.15 140.34 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.47 64.83 2.29 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 10.5 p90 -142.7 32.68 1.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -60.33 -48.21 82.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.02 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.41 -34.46 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.238 0.542 . . . . 0.0 109.753 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 63.6 m-85 -62.11 -49.25 76.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.799 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 m -54.89 -43.21 73.0 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.414 0.446 . . . . 0.0 111.704 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 19.5 mmm-85 -62.21 -49.67 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.182 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.46 HG21 HG21 ' A' ' 73' ' ' VAL . 1.7 mp -66.54 -45.85 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 m -57.08 -42.49 80.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.47 -37.55 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -59.59 -41.21 89.75 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.24 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.575 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -63.37 -47.99 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.185 179.383 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.77 -50.86 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.326 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.98 -50.84 71.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -66.11 -35.57 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.705 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -45.95 88.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -59.78 -36.55 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.281 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.48 -55.55 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.19 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.96 -38.64 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.676 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -67.22 -31.99 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 111.341 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.43 -31.73 42.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.781 0.324 . . . . 0.0 110.977 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -88.82 -66.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -101.54 -16.99 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 32.8 t70 64.15 32.18 12.79 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.43 0.633 . . . . 0.0 109.961 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -145.73 111.11 5.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.868 -178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -106.85 13.08 28.23 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.788 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.661 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -83.86 154.44 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.669 0.271 . . . . 0.0 111.619 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.81 86.19 0.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -175.17 29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.537 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -57.59 -62.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.793 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -79.61 -31.3 41.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.12 -40.8 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.525 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.482 HD22 HD11 ' A' ' 74' ' ' ILE . 16.2 tp -54.83 -56.37 20.19 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.516 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 p -68.64 -32.63 55.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -59.29 -57.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.726 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -67.54 -35.12 78.46 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.637 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.4 ' O ' HG12 ' A' ' 53' ' ' ILE . 15.9 t80 -52.13 -51.4 58.15 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.174 0.511 . . . . 0.0 110.934 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.853 HD11 ' HE2' ' A' ' 67' ' ' LYS . 5.8 mt -75.67 -42.74 50.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.691 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.65 -30.96 69.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -78.6 -36.87 43.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.623 0.249 . . . . 0.0 111.168 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.5 pt -90.9 -7.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mt-10 -56.06 -18.31 9.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 111.696 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -36.89 74.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.356 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.42 -15.95 28.12 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.36 0.6 . . . . 0.0 109.502 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.657 HD11 ' HB3' ' A' ' 62' ' ' GLU . 33.5 mm -81.91 89.31 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.409 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.509 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 30.3 t70 -90.9 -9.57 45.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.732 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.9 t -119.54 141.78 48.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -60.88 -37.1 81.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.9 -39.45 77.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.657 ' HB3' HD11 ' A' ' 57' ' ' ILE . 6.0 mm-40 -63.26 -45.38 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.592 ' HB2' HG22 ' A' ' 57' ' ' ILE . 23.3 tp -66.65 -44.47 81.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.568 ' HA ' HD12 ' B' ' 390' ' ' LEU . 61.2 mt -64.29 -37.46 79.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.113 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -65.2 -55.1 20.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.582 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.48 ' O ' HG21 ' A' ' 70' ' ' ILE . 6.2 mmtm -61.74 -47.44 85.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.853 ' HE2' HD11 ' A' ' 50' ' ' LEU . 12.6 ttmm -62.08 -48.34 80.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.496 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.555 ' HA ' ' HG2' ' A' ' 71' ' ' GLU . 68.5 mtt180 -63.75 -24.94 67.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.3 mm -78.92 -47.56 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.771 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' HA ' HG23 ' A' ' 73' ' ' VAL . 5.7 tp -70.65 -36.87 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 68' ' ' ARG . 13.8 pt-20 -68.33 -34.31 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 110.111 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -74.11 -47.02 39.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 70' ' ' ILE . 27.2 m -61.04 -36.61 73.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.932 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.482 HD11 HD22 ' A' ' 45' ' ' LEU . 70.1 mt -64.91 -44.02 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.891 0.377 . . . . 0.0 110.463 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.03 -36.17 74.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.16 0.505 . . . . 0.0 109.93 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -70.64 -35.96 73.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.786 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.98 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 62.0 tp -58.42 -43.04 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.979 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.63 4.92 26.33 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -134.7 -50.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -102.14 -41.81 6.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.98 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 11.0 m-20 -64.05 -49.77 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 24.7 m80 68.27 19.65 8.97 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 0.0 111.164 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.728 HG23 ' HA ' ' A' ' 114' ' ' TYR . 51.6 t -85.73 -16.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.77 0.795 . . . . 0.0 110.143 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 108' ' ' LEU . 8.6 tt -90.84 136.4 33.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.002 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.794 ' HB ' HG12 ' A' ' 109' ' ' VAL . 5.1 mp -102.02 131.34 50.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.466 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -136.97 140.4 42.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.838 0.352 . . . . 0.0 110.612 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.29 -126.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.8 t -148.55 151.56 35.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -88.48 -4.22 58.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.22 0.533 . . . . 0.0 109.883 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.82 130.42 39.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.97 12.48 63.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.811 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.86 -68.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.07 -0.49 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.99 -74.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.336 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m 60.46 18.6 8.35 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.031 0.532 . . . . 0.0 111.85 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 45.45 77.64 0.07 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.376 0.671 . . . . 0.0 112.333 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 56.35 82.13 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.622 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.51 -62.24 2.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.7 m 64.37 -72.02 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.731 0.813 . . . . 0.0 112.444 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.486 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 13.2 mt-10 -84.88 154.28 22.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.024 0.44 . . . . 0.0 111.532 -178.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.9 m -140.1 45.01 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.606 0.717 . . . . 0.0 109.616 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.486 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 51.1 p90 -87.75 -28.23 21.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.793 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.87 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -100.71 156.07 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.729 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.08 144.11 27.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.92 -171.98 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.414 2.076 . . . . 0.0 111.417 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -63.76 104.14 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.744 0.307 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.737 HD23 HD23 ' A' ' 84' ' ' LEU . 54.6 mt -92.6 118.99 31.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 120.924 0.392 . . . . 0.0 110.646 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.794 HG12 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -121.08 146.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.724 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.56 146.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.581 0.229 . . . . 0.0 110.99 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.49 158.21 36.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.423 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.78 -2.68 8.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.088 2.525 . . . . 0.0 113.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -85.35 23.81 1.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.767 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.728 ' HA ' HG23 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -64.1 -52.5 58.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.02 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -148.53 -176.38 5.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.5 mt -102.0 1.37 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.211 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.98 -36.79 29.64 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.68 0.613 . . . . 0.0 110.178 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.874 179.688 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -139.58 122.72 16.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.89 0.376 . . . . 0.0 110.707 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.22 131.15 55.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -133.3 -62.33 0.79 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 72.0 -103.15 1.25 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.697 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.99 103.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 0.0 110.607 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.31 -81.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.271 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -57.93 -26.55 62.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -26.14 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -30.42 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 67' ' ' LYS . 2.3 tp -76.07 -12.24 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.36 -24.88 63.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.416 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -66.34 -30.32 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.558 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 8.3 mt -66.55 -21.42 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.473 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' B' ' 394' ' ' ARG . 3.5 mmp_? -65.04 -26.78 68.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.024 0.44 . . . . 0.0 110.182 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.32 -23.74 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.558 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.3 OUTLIER -58.88 -30.85 68.06 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.387 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.85 -55.87 19.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.918 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -70.53 -39.05 74.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.181 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.146 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' A' ' 58' ' ' ASP . 62.9 tttm -75.12 -43.9 50.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.684 0.278 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.03 -31.63 70.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.772 0.796 . . . . 0.0 109.914 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.25 25.57 4.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.05 75.81 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.469 0.652 . . . . 0.0 111.154 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.18 -43.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.208 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 66.1 mtt -99.55 -45.45 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.49 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.2 m 59.15 48.0 11.06 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.509 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -130.42 24.0 5.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.264 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 7.7 t90 . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.08 -179.136 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.59 -32.36 95.9 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.771 2.314 . . . . 0.0 112.331 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -92.24 172.31 8.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.31 132.39 39.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.508 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -117.13 103.67 10.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.143 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt 50.05 82.11 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.881 0.738 . . . . 0.0 111.503 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -112.67 -74.12 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.68 125.68 29.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.482 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.1 5.71 89.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.047 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -126.06 22.78 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.0 110.581 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -39.84 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.143 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.42 -40.48 81.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.37 -45.84 83.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -58.93 -42.02 88.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.76 -49.34 77.89 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.034 0.445 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.99 -46.06 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.608 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 m -56.7 -41.76 77.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.58 -45.85 88.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.747 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.576 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.16 -40.41 81.31 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.282 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' HD11 ' A' ' 23' ' ' LEU . 2.5 mm -62.88 -52.37 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.767 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 m -71.14 -36.36 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.608 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 20.5 mt -61.84 -51.1 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.644 0.259 . . . . 0.0 111.297 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.514 ' O ' HG21 ' A' ' 31' ' ' VAL . 16.6 t-80 -64.35 -44.53 91.2 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' HG ' HG13 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -60.55 -46.77 88.98 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.8 ptm180 -63.76 -32.87 74.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.626 0.251 . . . . 0.0 111.141 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.52 -39.65 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 0.0 109.45 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.893 HG23 HD12 ' A' ' 40' ' ' LEU . 45.1 t -63.57 -51.78 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.078 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.9 pt-20 -63.15 -28.35 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.746 0.308 . . . . 0.0 111.301 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.76 -47.22 55.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.432 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -95.21 -68.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 13.1 mt-10 -67.2 -35.18 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.59 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.5 t70 76.98 -30.22 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 111.246 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 35' ' ' GLU . 41.3 mt-10 -86.14 82.62 8.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HA ' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -72.7 33.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.117 -179.093 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.38 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.893 HD12 HG23 ' A' ' 31' ' ' VAL . 5.4 mt 57.99 -136.68 0.95 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.957 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 44' ' ' GLU . 8.2 tptm -141.25 134.96 30.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.491 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -54.57 -49.88 69.31 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -71.27 -28.5 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.604 0.24 . . . . 0.0 111.08 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.637 ' HB2' ' HB3' ' A' ' 41' ' ' LYS . 19.6 tt0 -66.07 -34.74 78.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.051 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 46.9 mt -58.09 -50.16 74.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.087 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.784 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.58 -33.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.571 179.211 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -49.76 -59.2 4.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.7 p-90 -70.03 -29.23 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.421 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -57.43 -47.84 80.71 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.976 HD21 ' HG2' ' A' ' 67' ' ' LYS . 1.9 mt -66.22 -40.61 90.42 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.142 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HE2' ' NH1' ' B' ' 392' ' ' ARG . 17.7 mmtt -58.18 -31.39 67.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.402 0.62 . . . . 0.0 111.655 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -85.94 -43.73 12.96 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.068 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 57' ' ' ILE . 32.2 pt -77.16 -20.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.754 0.311 . . . . 0.0 111.426 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 14.4 pt-20 -69.26 -9.17 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.164 0.506 . . . . 0.0 111.459 -178.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -81.22 -22.9 38.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.067 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.85 -29.52 10.46 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.779 HG22 ' HB2' ' A' ' 63' ' ' LEU . 47.7 mm -59.42 111.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.254 0.55 . . . . 0.0 111.64 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HE2' ' B' ' 400' ' ' LYS . 27.4 t70 -108.65 -17.14 14.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.132 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -114.16 130.32 56.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.375 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.636 ' HG2' HD11 ' A' ' 64' ' ' ILE . 28.7 tt0 -53.84 -38.86 65.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.366 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -58.06 -39.4 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.718 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -65.41 -44.21 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.527 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.779 ' HB2' HG22 ' A' ' 57' ' ' ILE . 12.0 tp -63.6 -48.17 78.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.243 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.636 HD11 ' HG2' ' A' ' 60' ' ' GLU . 51.7 mt -59.35 -40.96 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.834 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.1 t30 -60.64 -57.02 14.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.542 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' ILE . 38.2 mmtm -56.23 -47.26 78.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.976 ' HG2' HD21 ' A' ' 50' ' ' LEU . 76.5 mttt -65.86 -34.64 78.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -74.38 -38.27 63.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.67 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 65' ' ' ASN . 41.2 mm -68.46 -49.54 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.392 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.473 HG12 ' HB ' ' A' ' 46' ' ' VAL . 7.7 tp -58.64 -44.44 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.526 0.203 . . . . 0.0 110.866 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.14 -44.71 94.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 110.057 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.6 -44.99 85.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.903 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 69' ' ' ILE . 93.1 t -63.06 -42.66 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.449 ' HA ' HD21 ' A' ' 77' ' ' LEU . 97.5 mt -60.89 -43.63 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -65.97 -37.1 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.43 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.592 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 13.2 ttm180 -70.65 -41.58 71.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.49 -33.48 76.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.763 HG23 ' HG ' ' A' ' 84' ' ' LEU . 8.4 p -86.76 4.23 41.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -60.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.592 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 74.5 m-85 -72.98 -55.67 6.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.875 0.369 . . . . 0.0 111.585 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.765 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.61 -45.56 89.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.779 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 65.25 26.21 12.24 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.378 0.608 . . . . 0.0 110.473 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 81' ' ' ASP . 26.9 m -94.97 13.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.559 0.695 . . . . 0.0 109.877 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.763 ' HG ' HG23 ' A' ' 78' ' ' THR . 1.3 tm? -90.28 126.57 35.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.797 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.825 ' HB ' HG11 ' A' ' 109' ' ' VAL . 3.0 mt -97.73 126.1 50.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.51 143.29 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.094 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.5 mt -103.73 -83.63 0.48 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.111 0.481 . . . . 0.0 110.585 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -137.87 151.58 48.18 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.821 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.97 -22.35 17.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.689 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.8 131.47 37.61 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.46 ' HA2' ' OG ' ' A' ' 99' ' ' SER . . . 105.04 -8.6 45.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.579 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.72 18.74 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.006 0.432 . . . . 0.0 110.974 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -117.2 -53.28 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 157.75 77.95 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.085 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.9 t -80.11 135.05 36.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.604 0.24 . . . . 0.0 110.787 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -74.8 -40.24 61.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.43 -17.16 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.59 114.04 2.37 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.714 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.46 ' OG ' ' HA2' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -97.25 166.41 11.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.767 0.318 . . . . 0.0 110.363 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.563 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 29.3 mt-10 -84.69 96.98 9.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.978 0.418 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.11 17.15 3.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.787 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.563 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 17.9 p90 -64.92 -25.0 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.83 156.71 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.76 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -64.08 143.58 57.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.745 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 7.8 p-10 -78.69 125.86 83.58 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 105' ' ' ASP . 1.9 Cg_endo -83.0 -67.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.257 2.638 . . . . 0.0 112.483 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 105' ' ' ASP . 53.8 m-85 62.89 -148.52 0.35 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.497 HD12 HD12 ' A' ' 84' ' ' LEU . 1.4 mm? -104.74 124.3 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.158 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.825 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -137.67 139.3 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.504 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.529 HG13 ' HG ' ' A' ' 28' ' ' LEU . 3.9 p -102.5 143.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.825 0.345 . . . . 0.0 111.238 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.08 149.16 82.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.592 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.13 1.61 7.03 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.46 2.107 . . . . 0.0 111.387 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.19 90.01 3.25 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.467 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.429 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 8.7 t80 -106.59 130.73 54.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -116.57 173.96 6.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.139 0.495 . . . . 0.0 111.486 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.589 HD12 ' HB2' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -96.59 167.64 11.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.404 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.44 -67.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HB2' HD12 ' A' ' 116' ' ' LEU . 24.9 t0 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.089 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.553 0.216 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -125.26 111.24 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.605 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' B' ' 382' ' ' LEU . 12.2 mt -72.95 144.7 47.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.436 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 65.65 -90.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.208 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 83.28 -60.51 4.88 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.435 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.39 103.83 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.301 0.572 . . . . 0.0 111.445 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 22.1 m -135.0 -64.43 0.66 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.485 ' O ' ' HG3' ' B' ' 391' ' ' GLU . 29.4 pt20 -72.18 -23.63 61.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.259 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.86 -37.27 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.525 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -69.24 -34.46 74.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.175 0.512 . . . . 0.0 110.631 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' B' ' 393' ' ' ILE . 1.1 mp -81.62 -15.84 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.027 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 98.6 mt-10 -64.17 -13.2 46.86 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 111.566 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.661 ' NH1' ' HE2' ' A' ' 51' ' ' LYS . 25.5 ttm180 -84.32 -20.78 31.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.603 0.716 . . . . 0.0 110.09 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.613 HD13 ' HG ' ' B' ' 390' ' ' LEU . 10.7 mt -69.2 -33.46 58.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.094 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 13.2 ptp180 -59.65 -23.59 63.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.574 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -83.23 -31.97 26.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.412 ' HB2' ' HZ3' ' B' ' 396' ' ' LYS . 0.0 OUTLIER -73.0 -24.69 60.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.006 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' B' ' 401' ' ' GLN . 31.7 tt0 -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.957 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.49 74.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' B' ' 402' ' ' LEU . 2.5 tm0? -68.1 -39.68 82.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.22 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 58' ' ' ASP . 36.1 tptt -71.3 -28.37 64.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.413 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' B' ' 397' ' ' GLU . 46.6 mt-30 -65.53 -14.06 60.23 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.985 0.422 . . . . 0.0 110.736 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' B' ' 399' ' ' GLN . 4.0 mp -70.62 -9.92 58.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.902 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -71.27 -26.65 62.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.789 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.69 131.19 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.601 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 48.1 ttm -73.93 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -63.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.237 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -118.04 -30.21 5.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.435 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 45.8 t90 . . . . . 0 C--O 1.25 1.081 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.164 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.422 0.154 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.06 104.71 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.657 2.238 . . . . 0.0 112.046 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -78.63 99.84 6.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.53 -99.26 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.97 0.794 . . . . 0.0 112.434 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m 68.72 -69.9 0.14 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.753 0.658 . . . . 0.0 111.266 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.575 HD11 ' HG ' ' A' ' 116' ' ' LEU . 38.8 mt -95.23 104.27 16.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -153.47 -56.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.012 0.434 . . . . 0.0 110.376 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -101.67 -46.54 4.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.312 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.69 137.64 13.38 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' HE1' ' HB3' ' A' ' 10' ' ' LEU . 67.8 m-85 -135.69 -50.19 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.6 -39.37 87.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' HG3' HD22 ' A' ' 65' ' ' ASN . 12.3 mp0 -55.54 -50.98 68.59 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.328 0.585 . . . . 0.0 109.681 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -58.48 -46.3 86.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.724 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -56.17 -45.97 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.687 0.279 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -67.47 -32.96 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.388 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.14 -51.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.456 ' O ' HG21 ' A' ' 25' ' ' VAL . 13.7 m -59.27 -37.45 77.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.13 -36.62 75.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD12 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.77 -48.15 80.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.437 ' CG1' HG13 ' A' ' 110' ' ' VAL . 10.7 tp -70.93 -38.18 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.207 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 21' ' ' SER . 59.8 t -66.56 -47.04 84.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.421 . . . . 0.0 110.059 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.08 -40.31 90.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.123 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -61.82 -41.58 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HA ' HG21 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.38 -45.38 69.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 85.1 mtt180 -58.67 -34.09 70.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.033 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -71.85 -46.68 57.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG21 ' HA ' ' A' ' 28' ' ' LEU . 25.9 m -73.4 -33.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.751 ' HA ' ' H ' ' A' ' 37' ' ' GLU . 5.5 pt-20 -69.52 -29.31 66.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.46 -39.63 52.75 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.028 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -88.34 -69.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' HB2' ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -97.05 4.19 51.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.5 m-20 60.19 66.07 1.01 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.634 0.584 . . . . 0.0 111.921 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.751 ' H ' ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt-10 69.26 98.64 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.666 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.498 ' OG ' ' HB2' ' A' ' 35' ' ' GLU . 8.4 m -108.16 16.39 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.78 -159.76 0.31 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.812 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 169.39 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.856 ' HB3' ' HB3' ' A' ' 44' ' ' GLU . 39.0 ttmt -108.32 138.13 45.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' HG3' HG21 ' A' ' 74' ' ' ILE . 50.8 ttt180 -52.23 -61.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 2.5 m -73.82 -30.15 62.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.856 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 37.1 tt0 -64.64 -42.95 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.276 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -50.57 -53.53 29.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 O-C-N 123.471 0.482 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.814 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.64 -37.46 56.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.566 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 43' ' ' SER . 53.3 t30 -52.26 -53.12 47.91 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -70.24 -28.62 65.39 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.651 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' CD1' HD12 ' A' ' 23' ' ' LEU . 36.0 t80 -60.6 -49.57 77.01 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.814 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 10.2 mt -59.92 -47.53 85.41 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.124 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HE2' ' HE ' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -55.42 -28.51 54.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -82.85 -37.63 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.689 ' O ' HG12 ' A' ' 57' ' ' ILE . 29.4 pt -90.78 -21.1 6.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.816 ' HG2' HD23 ' A' ' 63' ' ' LEU . 56.7 mt-10 -60.42 -21.99 62.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -29.54 40.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.49 -35.34 12.34 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.054 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.909 HG23 ' HB2' ' A' ' 63' ' ' LEU . 41.1 mm -56.5 118.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.186 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.55 -24.6 14.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.591 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.1 m -113.59 129.57 56.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.363 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.59 -36.87 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.487 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.02 -49.08 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.444 0.465 . . . . 0.0 111.092 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' HB2' HG21 ' A' ' 57' ' ' ILE . 65.7 mm-40 -59.83 -50.58 73.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.909 ' HB2' HG23 ' A' ' 57' ' ' ILE . 11.4 tp -63.08 -52.84 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.642 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.68 HG12 HD21 ' B' ' 390' ' ' LEU . 46.6 mt -57.49 -38.5 63.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 123.319 0.387 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.527 HD22 ' HG3' ' A' ' 16' ' ' GLU . 1.6 t30 -64.31 -47.35 79.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.074 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -58.65 -41.39 85.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.831 ' HD2' HD11 ' B' ' 390' ' ' LEU . 43.8 mttt -68.29 -32.06 71.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 29.7 mtm180 -68.67 -41.7 78.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.0 mm -72.16 -44.32 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.595 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.447 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.1 tp -64.04 -41.62 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -32.01 68.9 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.062 -0.399 . . . . 0.0 110.311 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.83 -46.76 70.9 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.35 -39.71 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.657 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' A' ' 42' ' ' ARG . 73.1 mt -66.24 -45.88 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -64.8 -32.17 73.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.475 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.756 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -75.15 -45.86 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.429 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -57.08 -46.59 82.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.273 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.587 ' HA ' HD21 ' A' ' 84' ' ' LEU . 10.9 t -82.45 4.45 24.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -138.03 -69.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.392 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.756 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 94.1 m-85 -66.04 -44.75 83.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 29.1 m-20 -79.81 -53.63 6.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.812 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t60 64.91 26.18 12.8 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.9 13.6 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.929 0.871 . . . . 0.0 110.123 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.587 HD21 ' HA ' ' A' ' 78' ' ' THR . 2.3 pt? -94.42 163.05 13.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.585 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.805 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.0 mt -123.75 144.29 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -135.76 124.21 23.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.6 mt -79.17 175.15 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.829 0.347 . . . . 0.0 110.708 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 67.5 p -100.93 121.49 41.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.644 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -52.96 -29.76 30.79 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.629 0.58 . . . . 0.0 111.303 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.54 103.01 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.09 -55.21 5.0 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.66 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 88' ' ' THR . 15.2 mt 61.11 37.95 17.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.472 0.654 . . . . 0.0 110.587 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -120.51 145.99 46.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.543 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.6 -169.65 51.07 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.883 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -124.58 -12.36 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.729 0.3 . . . . 0.0 110.725 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.78 152.52 39.01 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.34 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -82.46 158.62 23.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.236 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.69 177.73 47.52 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 m 62.68 -163.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.728 ' HB2' ' HD2' ' A' ' 102' ' ' TYR . 46.1 mt-10 -116.61 -22.13 8.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.368 -0.207 . . . . 0.0 110.916 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 m 60.87 34.4 19.63 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.55 0.69 . . . . 0.0 110.402 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.728 ' HD2' ' HB2' ' A' ' 100' ' ' GLU . 46.3 p90 -79.53 -16.37 56.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.824 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.17 -156.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.73 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.55 159.85 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.663 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.78 134.87 90.11 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.402 ' HB2' ' H ' ' A' ' 107' ' ' TYR . 65.8 Cg_endo -87.35 -153.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 123.45 2.767 . . . . 0.0 113.204 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.402 ' H ' ' HB2' ' A' ' 106' ' ' PRO . 63.8 m-85 -89.97 145.1 25.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.305 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.467 HD13 HD11 ' A' ' 84' ' ' LEU . 1.8 mm? -102.77 127.8 49.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.09 0.472 . . . . 0.0 110.77 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.805 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -127.91 139.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.437 HG13 ' CG1' ' A' ' 24' ' ' ILE . 10.6 p -105.21 142.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.906 0.384 . . . . 0.0 111.111 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' HD2' ' A' ' 112' ' ' PRO . 61.5 t30 -75.77 126.28 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.442 ' HD2' ' OD1' ' A' ' 111' ' ' ASN . 12.7 Cg_endo -56.79 -16.64 20.49 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.982 2.455 . . . . 0.0 112.371 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.74 61.67 6.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.99 142.59 30.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.839 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -73.37 -168.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.544 0.211 . . . . 0.0 111.3 -179.729 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.726 HD13 HD22 ' A' ' 115' ' ' LEU . 4.2 mp 65.97 179.97 0.2 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.03 -55.59 2.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.055 0.455 . . . . 0.0 110.129 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.411 179.742 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.51 0.195 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 59.1 68.53 0.8 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.309 0.576 . . . . 0.0 110.583 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.428 HD23 ' HB3' ' B' ' 387' ' ' GLN . 3.1 mp -96.17 18.38 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.933 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.55 124.07 25.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.032 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 102.25 -0.74 50.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.11 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 68' ' ' ARG . 9.5 p -132.96 143.37 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.011 0.405 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 69.4 m -72.76 103.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.428 ' HB3' HD23 ' B' ' 382' ' ' LEU . 1.9 pm0 -64.47 -19.05 65.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 0.2 OUTLIER -57.74 -51.5 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.419 178.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.531 HD13 HG21 ' A' ' 46' ' ' VAL . 53.8 mt -85.0 -17.83 36.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.47 0.652 . . . . 0.0 110.583 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.831 HD11 ' HD2' ' A' ' 67' ' ' LYS . 2.1 tp -86.31 -5.96 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.152 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 388' ' ' ASP . 13.4 pt-20 -54.86 -29.98 56.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.375 0.607 . . . . 0.0 110.592 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.442 ' HE ' ' HE2' ' A' ' 51' ' ' LYS . 1.9 tpp180 -63.61 -41.36 98.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.074 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.54 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 9.8 mt -66.92 -26.73 37.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.938 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.38 -37.9 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.28 -32.81 29.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.168 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 39.7 tttp -60.46 -30.55 69.74 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.661 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.12 -42.01 76.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.155 0.502 . . . . 0.0 110.109 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' B' ' 402' ' ' LEU . . . -66.44 -38.37 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.335 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.47 -41.5 98.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.458 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -69.32 -36.28 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.351 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.78 -22.26 61.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . 0.684 HD21 ' HE1' ' B' ' 405' ' ' MET . 33.8 mt -64.84 -14.52 59.66 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 0.0 110.268 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -128.5 93.65 3.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.987 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' MET . . . . . 0.684 ' HE1' HD21 ' B' ' 402' ' ' LEU . 68.6 mtt -87.71 -57.88 2.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.157 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 17.1 m -153.75 135.56 14.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.144 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -89.93 99.81 12.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.0 110.002 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.851 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.9 -19.56 10.88 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.374 2.049 . . . . 0.0 112.401 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -127.47 155.73 43.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.948 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.79 73.14 0.47 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.74 0.65 . . . . 0.0 111.347 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.9 m -124.07 163.09 22.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 66.72 25.51 9.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.752 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -146.13 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 110.633 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -84.32 -62.74 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.22 135.6 5.44 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.723 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 19.1 p90 -159.89 39.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -56.99 -39.33 74.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.461 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.3 pm0 -74.71 -32.28 62.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.723 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 30.9 m-85 -67.17 -40.23 86.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.019 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -59.49 -40.27 86.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.76 -51.02 68.74 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.84 -47.91 91.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.037 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -64.15 -37.01 85.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 109.851 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.553 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.79 -40.78 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.696 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 23' ' ' LEU . 2.5 mm -60.59 -52.43 61.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.484 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.66 -35.88 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 11.4 mt -59.08 -48.54 81.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.1 t-80 -70.14 -42.9 71.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 HD22 HG11 ' A' ' 110' ' ' VAL . 59.7 tp -60.01 -49.78 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.6 ptm180 -57.66 -32.26 67.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.119 0.485 . . . . 0.0 111.172 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 3.0 mmmp? -73.15 -47.3 45.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 27' ' ' HIS . 76.1 t -59.41 -46.77 92.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.854 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.65 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 12.8 pt-20 -64.98 -27.96 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.276 . . . . 0.0 111.073 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -71.87 -46.3 58.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.603 0.24 . . . . 0.0 111.389 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.634 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 2.2 pt-20 -89.41 -69.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.634 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 38.8 mt-10 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.65 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 12.9 t70 71.69 -27.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' GLU . 30.7 mt-10 -75.89 -11.39 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.159 -0.338 . . . . 0.0 111.873 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 31' ' ' VAL . 67.1 m 61.05 17.15 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.11 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -84.0 136.89 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.679 0.276 . . . . 0.0 110.293 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.74 175.68 10.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.935 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' A' ' 44' ' ' GLU . 28.8 mtmt -107.64 150.76 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.64 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' NH2' ' HA ' ' A' ' 75' ' ' HIS . 46.3 mtp180 -73.25 -59.17 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.183 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -28.89 67.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 37.9 tt0 -66.11 -39.16 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.564 0.221 . . . . 0.0 110.508 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.02 -52.82 59.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.767 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.2 p -72.71 -35.51 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.575 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -52.28 -56.52 14.2 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 37.0 p-90 -71.14 -28.19 64.1 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' HG12 ' A' ' 53' ' ' ILE . 32.8 t80 -57.0 -46.03 82.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.767 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 2.8 mt -71.34 -44.11 65.72 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.834 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 20.6 mmtt -54.07 -29.7 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -84.66 -44.91 13.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.9 pt -91.35 -11.44 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.7 pt-20 -67.26 -14.67 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.753 -0.592 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -23.73 24.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.038 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 53' ' ' ILE . 4.8 pt-20 -96.58 -20.72 18.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.675 HG21 ' HB2' ' A' ' 63' ' ' LEU . 9.2 mm -63.85 112.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.737 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' HA ' ' NZ ' ' B' ' 400' ' ' LYS . 37.5 t70 -93.32 -17.73 23.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.202 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -122.63 129.7 52.17 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.69 ' O ' HG12 ' A' ' 64' ' ' ILE . 6.2 tt0 -53.36 -38.73 63.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.304 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.95 -34.17 74.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.842 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.544 ' HB3' HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.59 -49.22 78.6 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.675 ' HB2' HG21 ' A' ' 57' ' ' ILE . 7.9 tp -61.18 -46.15 91.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.255 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 60' ' ' GLU . 6.6 mm -57.06 -52.48 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 109.849 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -50.03 75.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -56.85 -45.63 82.3 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 110.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.661 ' HA ' HG23 ' A' ' 70' ' ' ILE . 8.3 mtpm? -65.42 -44.76 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.521 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 68' ' ' ARG . 35.6 ttt180 -54.46 -36.86 64.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.39 -50.81 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.6 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.661 HG23 ' HA ' ' A' ' 67' ' ' LYS . 9.7 tp -58.88 -40.85 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 24.0 mt-10 -75.45 -31.68 60.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.772 -0.58 . . . . 0.0 110.404 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -68.82 -44.67 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.005 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.3 -33.46 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.57 -35.93 74.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.479 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 4.5 t60 -71.44 -35.09 70.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.534 ' HG3' ' HB2' ' A' ' 80' ' ' TYR . 16.9 ttm180 -68.21 -42.29 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.871 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -54.94 -38.16 67.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.768 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -12.76 60.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -124.38 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.411 -0.516 . . . . 0.0 112.099 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.534 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 89.5 m-85 -55.89 -54.51 43.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.298 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.3 m-20 -70.13 -54.16 14.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.058 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 64.78 24.06 12.78 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.66 0.6 . . . . 0.0 111.218 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG21 ' HB3' ' A' ' 81' ' ' ASP . 19.8 m -91.29 11.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.139 0.495 . . . . 0.0 110.595 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.529 HD12 HD22 ' A' ' 77' ' ' LEU . 5.5 tp -97.33 127.52 43.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.378 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.901 ' HB ' HG13 ' A' ' 109' ' ' VAL . 9.3 mt -94.0 127.8 45.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.319 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -124.92 141.18 52.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.4 mt -120.05 -168.92 1.7 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.389 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.621 HG21 ' H ' ' A' ' 99' ' ' SER . 11.1 p -95.41 -163.29 1.03 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.171 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.86 4.65 7.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.842 0.353 . . . . 0.0 110.48 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.01 115.43 30.05 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.34 -60.75 3.94 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.183 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 88' ' ' THR . 9.9 mt 55.33 62.9 2.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.447 0.641 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -136.15 -41.89 0.65 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.24 140.54 14.08 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.07 -11.31 41.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 0.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.486 HG21 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.17 -23.08 63.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HG2' HG21 ' A' ' 96' ' ' THR . 40.3 mm-40 -116.3 169.95 8.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.6 133.7 2.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.767 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.621 ' H ' HG21 ' A' ' 88' ' ' THR . 8.5 t -91.02 -132.3 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.676 0.274 . . . . 0.0 110.491 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 101' ' ' SER . 1.7 mm-40 -90.95 -89.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.503 ' H ' ' HB2' ' A' ' 100' ' ' GLU . 1.5 m 53.34 44.47 30.04 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.253 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -107.55 -14.94 14.72 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -72.29 -44.58 62.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -142.45 171.85 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.733 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.8 123.89 65.2 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.34 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.27 -84.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.804 2.336 . . . . 0.0 111.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -120.98 116.63 25.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 85.4 mt -110.2 132.93 53.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.723 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.901 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.68 138.54 53.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 28' ' ' LEU . 8.1 p -109.01 141.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.959 0.409 . . . . 0.0 110.596 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.2 m-20 -84.22 139.12 39.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.284 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 16.5 Cg_exo -68.26 0.99 3.88 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.258 2.639 . . . . 0.0 113.169 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -85.99 20.59 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -63.22 124.75 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.509 ' H ' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -107.27 169.47 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.58 -155.03 0.43 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.426 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . 7.9 mm-40 -73.92 -15.51 61.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.09 179.736 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.912 0.387 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -147.41 172.04 14.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.62 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.71 166.09 23.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.597 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -150.89 -173.27 4.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.246 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -82.86 -161.05 29.77 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.842 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.49 104.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.538 0.209 . . . . 0.0 110.666 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.465 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 3.1 m -161.95 -44.85 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.459 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.664 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -40.52 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.354 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.55 -28.21 61.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.676 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.545 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 17.3 tp -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 3.4 tt0 -66.73 -23.08 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -67.83 -21.59 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.451 0.643 . . . . 0.0 109.647 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.547 ' HA ' ' HG2' ' B' ' 396' ' ' LYS . 1.6 mp -65.4 -42.36 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 2.1 ptm180 -71.15 -17.94 62.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.956 0.408 . . . . 0.0 110.439 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.24 -37.33 18.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.337 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -82.07 -3.4 54.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -54.54 -50.58 67.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.84 70.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.357 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.18 -41.69 96.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.426 ' NZ ' ' HA ' ' A' ' 58' ' ' ASP . 13.7 mmmt -67.23 -10.1 47.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.154 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -78.39 -32.25 48.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.28 -34.44 10.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -79.75 102.27 8.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.24 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.07 167.14 20.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.866 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 28.2 ttt -87.2 -23.44 24.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 89.1 m -152.76 124.28 7.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.798 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -119.34 -11.15 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.626 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.494 0.187 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.16 133.28 37.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.813 2.342 . . . . 0.0 111.96 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -97.75 -24.38 15.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.45 117.57 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.618 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.4 t -77.03 -86.66 0.05 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.915 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.711 HD23 ' HB2' ' A' ' 117' ' ' GLU . 35.3 mt -85.17 -28.72 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -169.33 168.15 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -31.06 69.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.83 86.41 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.602 ' HE2' ' H ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -109.21 34.3 3.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.848 0.356 . . . . 0.0 111.422 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -54.16 -41.55 68.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.531 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.04 -41.73 70.42 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 24.4 t80 -58.49 -41.34 85.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.031 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.1 m -61.68 -36.84 82.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.05 -47.13 81.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.314 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.28 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -58.38 -44.77 89.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.67 -42.38 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.24 -42.06 85.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.865 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.552 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -61.94 -47.19 94.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.23 -49.51 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.05 -46.67 88.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.469 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -59.85 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.2 tm? -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -56.37 -44.65 80.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.07 0.462 . . . . 0.0 110.603 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 9.5 mmmm -69.76 -41.01 75.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 HD13 ' A' ' 40' ' ' LEU . 41.1 t -63.66 -45.91 96.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.17 -28.33 65.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -85.55 -39.54 17.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -88.75 -61.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.68 -29.26 36.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 70.06 16.82 7.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -134.39 95.12 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.589 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.634 ' HB2' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -74.08 13.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.322 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 99.01 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.04 -173.91 3.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 0.0 111.717 -179.068 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -92.16 129.82 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.481 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.75 -40.72 98.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.936 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -66.61 -28.65 68.67 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.998 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -72.78 -34.98 67.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.96 -45.41 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.689 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 26.1 t -70.93 -35.89 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.328 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -55.59 -58.0 9.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.44 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -69.77 -28.87 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.663 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 18.5 t80 -58.45 -49.04 78.75 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 13.2 mt -64.17 -41.44 97.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.718 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 22.8 mmtt -61.05 -38.7 87.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.849 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.16 -35.65 64.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.676 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.3 pt -88.79 -8.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.62 -30.0 60.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.777 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -23.59 44.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.112 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 11.6 pt-20 -91.81 -20.11 21.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 0.0 110.258 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.676 HG12 ' O ' ' A' ' 53' ' ' ILE . 44.3 mm -67.29 109.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -102.3 -15.5 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.901 0.857 . . . . 0.0 109.097 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.55 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 22.8 t -137.23 135.51 37.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.756 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.543 ' OE1' ' HA ' ' B' ' 397' ' ' GLU . 0.2 OUTLIER -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.295 -179.6 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.85 -33.64 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.55 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 31.1 mt-10 -69.63 -49.0 57.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.132 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' HB2' HG23 ' A' ' 57' ' ' ILE . 20.1 tp -64.03 -45.38 89.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.641 ' HA ' HD21 ' B' ' 390' ' ' LEU . 40.3 mt -63.88 -34.16 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.746 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.76 -47.83 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -57.42 -43.6 83.94 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.304 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.798 ' HZ3' ' HB3' ' B' ' 389' ' ' LEU . 14.4 mmtt -60.54 -47.5 85.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.099 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.677 ' HG2' ' HA3' ' B' ' 384' ' ' GLY . 30.7 mtp180 -61.0 -34.88 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.465 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.95 -49.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.633 HG22 HG13 ' A' ' 46' ' ' VAL . 9.9 tp -58.33 -41.63 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.632 ' HG2' ' HB2' ' B' ' 386' ' ' SER . 43.4 tp10 -74.98 -32.51 61.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.123 0.487 . . . . 0.0 109.913 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 33.2 ttmt -66.73 -47.57 71.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.209 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.72 -37.06 78.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.144 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 78' ' ' THR . 91.6 mt -66.68 -45.94 87.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.68 -39.48 94.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.647 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 19.0 ttt180 -67.36 -43.3 81.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.2 tp -57.88 -50.88 71.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.513 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.56 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 9.0 t -80.62 3.93 20.32 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -53.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.3 -0.875 . . . . 0.0 112.57 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.647 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.9 m-85 -91.16 -46.54 8.03 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 t0 -58.98 -57.12 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m80 70.57 18.35 6.49 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.08 5.8 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.931 0.872 . . . . 0.0 109.735 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.56 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -96.99 170.24 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.395 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.864 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.4 mp -122.9 131.2 73.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.76 139.91 28.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 99.7 mt -136.86 170.38 16.19 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 p 44.02 83.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.568 1.168 . . . . 0.0 113.004 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.586 ' HA ' HD12 ' A' ' 92' ' ' LEU . 27.8 pt20 -57.45 -21.21 35.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.081 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.07 94.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.1 -2.38 24.06 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.744 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 89' ' ' GLN . 42.7 mt -68.86 -56.16 8.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -78.99 -44.9 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 0.0 110.173 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.49 -148.03 17.72 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.225 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.1 m -150.98 -36.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.863 0.364 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -122.45 -38.51 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 0.0 111.182 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -76.3 114.74 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.759 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 138.69 76.48 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 m 59.44 -128.07 1.2 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.666 0.274 . . . . 0.0 110.77 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -117.53 157.53 26.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.321 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -140.68 47.79 1.74 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.32 0.581 . . . . 0.0 110.105 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -78.32 -31.2 48.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.175 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.75 161.6 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.484 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -79.94 137.81 36.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.39 146.21 33.8 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.422 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.65 -34.84 10.97 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.338 2.025 . . . . 0.0 111.749 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 63.04 -89.44 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.739 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 108' ' ' LEU . 1.2 mm? -129.21 119.94 24.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.246 0.546 . . . . 0.0 111.565 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.864 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -138.54 139.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.128 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.569 HG12 ' HG ' ' A' ' 28' ' ' LEU . 12.1 p -118.24 148.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -87.64 146.86 40.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.738 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.72 -16.47 37.37 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.835 2.357 . . . . 0.0 112.927 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -85.79 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -63.7 135.13 56.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.237 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -115.24 171.23 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.129 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -96.41 -153.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.025 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.711 ' HB2' HD23 ' A' ' 10' ' ' LEU . 39.9 mt-10 -71.75 -22.0 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.392 . . . . 0.0 111.002 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.016 -179.802 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.786 0.327 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -78.97 159.0 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' B' ' 383' ' ' LYS . 2.3 mp 62.32 -158.36 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.523 0.515 . . . . 0.0 110.405 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' B' ' 382' ' ' LEU . 7.6 mtpt 70.1 91.3 0.09 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.22 0.533 . . . . 0.0 111.035 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . 0.677 ' HA3' ' HG2' ' A' ' 68' ' ' ARG . . . -160.62 179.96 35.78 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 37.0 t -83.48 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.632 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . 23.1 m 57.71 61.59 2.38 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.665 0.603 . . . . 0.0 111.522 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -61.82 -21.05 64.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.303 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.93 -12.82 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.355 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.798 ' HB3' ' HZ3' ' A' ' 67' ' ' LYS . 3.8 mp -82.98 -16.03 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.641 HD21 ' HA ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -88.2 -2.54 58.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.384 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -29.01 25.28 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.15 0.5 . . . . 0.0 110.74 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -81.56 -32.97 31.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.042 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.428 HG13 HD22 ' B' ' 390' ' ' LEU . 14.7 mm -65.8 -45.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.871 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.28 -28.38 69.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.038 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -81.16 -27.79 35.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 109.666 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.12 -20.1 49.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.543 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 5.1 tt0 -49.29 -59.91 3.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.805 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.04 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.42 . . . . 0.0 110.826 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -68.06 -22.22 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.35 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -21.22 66.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.284 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -82.2 -4.65 57.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.213 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.41 19.85 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -88.32 -154.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.06 47.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.361 0.6 . . . . 0.0 110.515 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 17.3 tpt -82.03 -43.85 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.577 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 10.2 t -143.16 156.52 44.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.037 0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 18.32 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.601 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.07 -43.2 31.19 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.588 2.192 . . . . 0.0 112.223 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -81.37 147.49 29.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.99 -19.64 4.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.972 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 m -104.94 136.24 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -7.79 5.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -91.7 147.07 23.26 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.427 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER 61.89 80.5 0.22 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.741 0.651 . . . . 0.0 110.704 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -12.49 1.64 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 32.8 m-85 -113.9 32.19 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.962 0.41 . . . . 0.0 110.345 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -49.25 78.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.785 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.63 -37.97 70.82 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 93.2 m-85 -60.33 -35.8 76.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.41 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -67.1 -27.68 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -79.04 -46.35 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.283 0.563 . . . . 0.0 109.924 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.423 ' CG2' HG22 ' A' ' 73' ' ' VAL . 1.6 mp -63.13 -46.05 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.674 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.2 p -58.06 -39.55 78.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 110.341 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.502 ' HA ' HG12 ' A' ' 25' ' ' VAL . 6.4 t-20 -66.0 -42.29 89.94 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.632 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.29 -39.5 83.19 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.546 ' N ' HD11 ' A' ' 23' ' ' LEU . 2.5 mm -66.68 -52.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 22' ' ' ASN . 10.9 p -67.95 -39.4 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.613 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 23.7 mt -64.64 -51.77 60.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.426 ' O ' HG23 ' A' ' 31' ' ' VAL . 42.3 t-80 -59.76 -48.37 81.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -42.83 91.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.652 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 ptm180 -61.35 -35.75 78.29 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.352 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 33.4 mmtp -70.7 -40.94 72.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 0.0 109.666 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 27' ' ' HIS . 59.2 t -62.84 -50.99 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -65.76 -28.66 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 111.473 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -72.47 -33.15 66.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.72 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.31 -60.75 1.49 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' CD ' ' HG ' ' A' ' 38' ' ' SER . 31.3 mt-10 -91.24 -20.51 21.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 29.7 t70 74.24 -58.29 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.354 0.662 . . . . 0.0 110.422 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -88.01 -122.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.856 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.408 ' HG ' ' CD ' ' A' ' 35' ' ' GLU . 47.8 m 54.36 57.63 5.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.471 0.482 . . . . 0.0 111.202 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 107' ' ' TYR . . . -51.49 -42.1 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.083 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.767 ' HG ' ' H ' ' A' ' 41' ' ' LYS . 13.9 tp 70.11 -164.74 0.16 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 123.656 0.597 . . . . 0.0 110.386 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.767 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 28.9 mtpp -118.7 151.25 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -61.1 -44.88 96.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.47 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.9 -37.81 72.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.012 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.55 -48.54 81.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.777 0.322 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.93 -30.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 0.0 110.083 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -52.91 -58.32 7.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.858 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 p-90 -68.89 -33.12 73.25 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.499 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -55.19 -45.7 75.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.403 0.621 . . . . 0.0 110.023 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD23 ' HG3' ' A' ' 67' ' ' LYS . 10.0 mt -73.43 -50.68 20.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.546 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -54.56 -25.15 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -81.04 -41.28 22.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' O ' HG12 ' A' ' 57' ' ' ILE . 42.7 pt -102.21 -3.34 9.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.754 ' HA ' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -74.74 -26.52 59.85 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.465 -178.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -20.48 65.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.35 3.87 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.584 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.754 HG12 ' HA ' ' A' ' 54' ' ' GLU . 21.4 mm -67.89 112.21 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.817 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.17 -18.68 26.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.547 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 7.7 t -137.59 129.17 28.33 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' A' ' 64' ' ' ILE . 29.2 tt0 -51.35 -36.55 43.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.942 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.01 -34.59 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.69 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.547 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 9.5 mm-40 -67.72 -42.5 81.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.18 0.514 . . . . 0.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' A' ' 57' ' ' ILE . 17.5 tp -67.22 -37.24 83.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.376 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.734 HG12 HD13 ' B' ' 390' ' ' LEU . 39.4 mt -69.72 -38.1 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.368 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.432 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.7 t30 -60.52 -50.57 73.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.37 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' O ' HG23 ' A' ' 70' ' ' ILE . 56.5 mmtt -54.87 -46.25 74.71 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.852 ' HG3' HD23 ' A' ' 50' ' ' LEU . 14.0 mttp -63.12 -42.12 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 40.8 ttp-105 -62.35 -29.53 70.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.582 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 65' ' ' ASN . 43.2 mm -86.55 -51.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.538 HG23 ' O ' ' A' ' 66' ' ' LYS . 8.9 tp -63.51 -41.32 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.743 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.1 -34.17 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 22.0 ttmm -63.52 -51.63 64.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.423 HG22 ' CG2' ' A' ' 20' ' ' ILE . 32.7 m -64.62 -35.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.861 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.36 -37.97 78.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.427 . . . . 0.0 109.955 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -70.33 -32.88 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.34 0.59 . . . . 0.0 109.776 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.804 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 9.3 ttt180 -74.63 -43.01 57.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.028 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 17.4 tp -56.91 -39.2 73.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.048 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.428 ' HA ' HD21 ' A' ' 84' ' ' LEU . 6.7 p -78.99 -25.63 43.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.41 -70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.804 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.1 m-85 -56.97 -47.0 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.609 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 5.1 m-20 -81.08 -61.14 2.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 63.37 33.94 13.44 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.636 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.75 3.56 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.55 . . . . 0.0 110.556 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 78' ' ' THR . 1.8 pt? -91.39 151.55 20.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.42 0.629 . . . . 0.0 111.707 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.752 ' HB ' HG12 ' A' ' 109' ' ' VAL . 4.7 mp -100.35 146.89 8.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.584 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.4 pt-20 -131.69 97.57 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.546 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.584 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 1.7 pp 155.63 146.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.568 1.167 . . . . 0.0 110.814 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.446 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -141.11 119.35 12.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.196 178.756 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.92 58.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 0.0 112.159 -179.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.83 10.11 0.47 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.735 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.6 27.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.339 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 88' ' ' THR . 27.6 mt -110.65 -10.21 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.45 0.167 . . . . 0.0 111.15 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -86.51 -52.45 5.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.83 0.348 . . . . 0.0 111.55 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.46 74.11 0.34 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.62 158.78 19.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.622 0.249 . . . . 0.0 110.573 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -75.98 -39.79 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.94 123.98 33.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.378 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.39 -153.17 25.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.823 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.75 120.02 41.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.834 0.349 . . . . 0.0 110.183 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -112.32 155.26 24.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -152.74 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -98.26 -24.17 15.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.25 -49.82 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.429 0.633 . . . . 0.0 110.104 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -95.63 -168.72 1.82 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.443 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.09 156.58 90.6 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.325 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 86' ' ' GLU . 38.1 Cg_endo -66.93 -173.55 0.4 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.583 2.189 . . . . 0.0 112.051 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 55.6 m-85 -85.7 142.41 29.04 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.527 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 86' ' ' GLU . 2.1 mm? -98.65 123.29 42.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.844 -178.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.752 HG12 ' HB ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -128.61 138.82 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.713 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.44 148.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.727 0.298 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -83.53 142.32 42.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.521 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.55 -0.49 5.23 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.878 2.386 . . . . 0.0 111.849 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.42 -4.55 57.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.832 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 121.87 11.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.715 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.86 -165.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.13 -179.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.408 ' H ' ' HB2' ' A' ' 115' ' ' LEU . 83.2 mt -97.46 -61.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.674 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -163.32 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.214 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.059 179.723 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.242 0.068 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 69.21 -70.83 0.13 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.253 0.621 . . . . 0.0 112.275 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.17 113.67 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.268 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -137.99 4.69 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.448 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 91.48 20.38 38.09 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.09 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.518 ' HB ' ' HG3' ' B' ' 387' ' ' GLN . 3.1 t -101.61 162.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 39.3 m -54.34 -31.09 53.54 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 111.728 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . 0.518 ' HG3' ' HB ' ' B' ' 385' ' ' VAL . 0.5 OUTLIER -68.26 -18.75 64.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.881 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' B' ' 385' ' ' VAL . 0.6 OUTLIER -53.17 -53.55 48.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.093 0.473 . . . . 0.0 111.6 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.12 -33.72 74.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.314 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.734 HD13 HG12 ' A' ' 64' ' ' ILE . 11.1 tp -85.08 -16.09 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.63 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -61.94 -26.78 68.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.093 178.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.559 ' O ' ' HG2' ' B' ' 396' ' ' LYS . 1.7 mp -62.4 -30.7 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.556 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.84 -24.53 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.184 0.516 . . . . 0.0 110.342 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -98.04 -16.51 19.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.451 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -81.63 -9.02 59.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.015 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.86 -46.07 67.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.354 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' B' ' 401' ' ' GLN . . . -64.8 -37.47 87.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.893 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.48 -40.08 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.68 -40.39 66.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.63 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' B' ' 398' ' ' ALA . 19.0 pt20 -72.71 -22.52 60.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.618 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.95 22.09 15.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.129 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -102.95 -176.11 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.163 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 68.15 175.66 0.27 Allowed 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.684 0.615 . . . . 0.0 110.704 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.22 -59.02 2.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.352 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 3.6 m -121.58 -32.43 3.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.423 ' CZ ' ' HA ' ' B' ' 401' ' ' GLN . 22.3 ttt-85 56.42 -103.11 0.17 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 9.0 m0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.63 -0.7 . . . . 0.0 109.791 179.773 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -75.4 146.72 31.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 59.44 -153.63 0.38 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.34 147.43 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 m -87.2 169.89 11.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.76 81.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -131.79 -31.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.429 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.4 mt -70.34 -61.13 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.902 0.382 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.9 -112.04 1.33 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.148 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 57.48 30.38 18.57 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.615 0.366 . . . . 0.0 111.376 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -49.15 78.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.62 -42.3 78.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.038 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -59.4 -42.4 91.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.037 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t -60.57 -43.69 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -61.51 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.506 HG22 HD12 ' A' ' 70' ' ' ILE . 1.7 mp -65.41 -46.76 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.053 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.7 t -58.14 -37.45 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.025 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -61.32 -42.6 98.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.587 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -59.77 -38.73 82.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.475 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.6 HG22 ' HE2' ' A' ' 114' ' ' TYR . 7.3 mm -66.98 -52.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.477 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.38 -36.11 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.748 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 8.2 mt -67.47 -51.84 46.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.641 0.258 . . . . 0.0 111.444 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -68.36 -39.4 81.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.056 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.28 -45.98 82.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.914 -179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 14.3 ptm180 -63.1 -30.47 71.62 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 110.243 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 17.3 tppt? -73.08 -42.18 63.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.639 HG22 HD12 ' A' ' 40' ' ' LEU . 14.4 t -59.97 -48.97 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.872 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 10.4 pt-20 -66.7 -28.14 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.749 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -73.67 -34.16 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.462 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 16.5 mt-10 -87.21 -55.63 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.549 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.43 -80.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 176.51 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.535 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -109.8 -52.1 2.81 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m 67.76 -43.02 0.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.316 -1.311 . . . . 0.0 113.198 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.558 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . . . 61.67 86.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.501 0.667 . . . . 0.0 110.354 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.87 167.82 11.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.492 -178.446 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -82.01 130.52 35.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.914 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -36.14 78.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.468 0.175 . . . . 0.0 111.334 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -33.69 75.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.668 0.271 . . . . 0.0 110.489 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD23 ' HE1' ' A' ' 48' ' ' TRP . 88.4 mt -57.16 -50.92 71.33 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.068 0.461 . . . . 0.0 109.897 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG13 HG23 ' A' ' 70' ' ' ILE . 39.8 t -64.19 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.197 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -56.71 -60.31 3.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.157 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 36.3 p-90 -66.62 -28.89 68.85 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.045 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -59.39 -50.04 75.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 14.7 mt -67.56 -38.82 84.68 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.645 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 3.1 mptp? -59.7 -25.59 64.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.783 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -83.19 -41.21 18.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.956 0.408 . . . . 0.0 111.524 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.651 ' O ' HG12 ' A' ' 57' ' ' ILE . 8.0 pt -89.57 -16.6 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.645 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 10.5 pt-20 -61.21 -21.68 64.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -26.08 61.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.895 0.379 . . . . 0.0 110.349 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 -21.48 15.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.2 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.733 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.9 mm -74.21 108.37 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -110.21 -10.52 14.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.412 0.625 . . . . 0.0 109.35 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -118.74 134.8 54.88 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.243 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.823 ' HG2' HD13 ' A' ' 64' ' ' ILE . 3.1 tt0 -58.64 -37.55 76.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.017 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -52.6 -46.4 66.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.661 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HB2' HG22 ' A' ' 57' ' ' ILE . 68.1 mm-40 -60.05 -46.61 88.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.01 0.433 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.2 tp -66.13 -42.18 89.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.823 HD13 ' HG2' ' A' ' 60' ' ' GLU . 83.0 mt -62.8 -42.41 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 109.981 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.4 t30 -57.84 -48.78 78.78 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.024 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.572 ' HE3' HD13 ' A' ' 53' ' ' ILE . 7.7 tppt? -63.59 -49.7 72.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.472 ' HE3' ' CD1' ' B' ' 393' ' ' ILE . 13.1 tptp -54.85 -49.17 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.327 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.79 -30.03 70.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 65' ' ' ASN . 38.8 mm -79.52 -51.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.427 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.572 HG23 HG13 ' A' ' 46' ' ' VAL . 7.3 tp -58.18 -42.91 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.59 0.233 . . . . 0.0 110.936 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.43 -44.16 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -59.91 -43.64 94.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.255 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 69' ' ' ILE . 79.7 t -60.78 -47.74 91.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.695 0.284 . . . . 0.0 110.255 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.21 -43.68 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.3 -41.9 98.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.703 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.663 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 33.5 ttm180 -62.76 -41.88 99.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.52 0.676 . . . . 0.0 110.205 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.78 HD23 HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -71.9 -24.76 61.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.081 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -93.98 4.47 53.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -139.82 -55.96 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.663 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 42.6 m-85 -71.73 -54.65 9.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.55 -56.88 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 111.86 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.473 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 25.2 t-80 67.77 50.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.076 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.78 HG23 HD23 ' A' ' 77' ' ' LEU . 2.7 m -91.63 -2.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -87.78 140.81 29.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.996 178.576 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.813 ' HB ' HG12 ' A' ' 109' ' ' VAL . 3.1 mt -93.32 131.86 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.85 119.13 33.94 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -87.27 -155.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.851 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.7 p -111.22 -168.82 1.35 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.73 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.424 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -132.49 -19.25 2.43 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.401 178.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.44 -46.68 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.994 0.426 . . . . 0.0 110.881 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.65 64.46 3.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.453 -0.88 . . . . 0.0 111.965 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 89' ' ' GLN . 87.8 mt -115.33 -47.94 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.937 0.398 . . . . 0.0 111.221 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -98.73 111.79 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.675 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.34 -15.93 58.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.919 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 m -140.9 160.24 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -111.14 -28.94 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.336 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -145.93 -171.34 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.162 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.19 -108.46 0.6 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -77.78 139.7 39.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.657 0.265 . . . . 0.0 110.981 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 45.5 mt-10 -81.29 142.27 33.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.121 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -118.1 61.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.461 0.648 . . . . 0.0 110.216 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 39.6 p90 -97.13 -14.74 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.956 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -81.72 -12.43 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.62 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.63 -167.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.242 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.81 107.8 59.37 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.185 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.2 -167.01 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.724 2.283 . . . . 0.0 112.063 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 36.6 m-85 -85.86 125.96 33.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.614 HD23 HD23 ' A' ' 84' ' ' LEU . 50.2 mt -103.03 143.13 32.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 111.896 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.813 HG12 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -147.91 138.32 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.203 178.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.49 ' HB ' HD13 ' A' ' 84' ' ' LEU . 4.6 p -119.69 163.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.709 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 112' ' ' PRO . 53.8 p30 -102.47 163.05 18.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.028 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 111' ' ' ASN . 73.5 Cg_endo -79.3 0.87 9.66 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.694 2.263 . . . . 0.0 111.799 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -74.01 -66.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.005 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.6 ' HE2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER 55.9 -159.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.591 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.444 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -137.43 26.48 2.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.286 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -120.01 132.7 55.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.189 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.73 -24.13 61.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.521 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.624 0.249 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -83.5 99.21 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.99 0.424 . . . . 0.0 110.807 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.31 -41.04 2.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.374 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -117.88 179.04 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.267 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -98.96 -166.54 30.39 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.53 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 6.5 p -80.35 153.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 1.2 m -78.41 64.92 3.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -71.84 -36.15 70.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.403 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.49 -20.84 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 26.1 tp -81.18 -8.59 59.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 0.0 110.063 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.942 ' HB3' ' HB ' ' B' ' 393' ' ' ILE . 34.9 mt -84.81 -57.19 3.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 44.98 26.77 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.312 1.007 . . . . 0.0 111.297 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.412 HH12 ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -164.54 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.678 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.942 ' HB ' ' HB3' ' B' ' 390' ' ' LEU . 3.4 mp -65.52 -22.2 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.228 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -63.32 -43.73 96.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.443 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.03 -27.9 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.506 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -64.01 -30.69 71.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 178.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 39.9 tt0 -54.17 -55.62 26.06 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.283 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.24 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.723 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -57.17 -46.58 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -85.16 -18.61 33.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' B' ' 397' ' ' GLU . 0.8 OUTLIER -72.93 -52.59 14.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.54 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.12 -30.77 63.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.933 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 60.73 -95.0 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.621 0.576 . . . . 0.0 112.056 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.08 -160.51 0.29 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.836 0.454 . . . . 0.0 110.4 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 14.6 tpt -90.08 -39.47 12.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 110.052 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 406' ' ' THR . . . . . 0.592 HG22 ' HD3' ' B' ' 407' ' ' ARG . 12.6 t -81.63 171.43 14.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.748 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.592 ' HD3' HG22 ' B' ' 406' ' ' THR . 8.7 mpt_? 70.68 156.97 0.16 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 111.477 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.013 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -67.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.486 2.124 . . . . 0.0 112.094 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 52.0 mtpt -124.53 -50.47 1.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.52 156.29 37.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.439 . . . . 0.0 111.632 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 m -123.25 135.48 54.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.844 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.577 ' HA ' ' HE1' ' A' ' 14' ' ' PHE . 3.8 mm? 66.44 20.78 10.91 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.747 0.419 . . . . 0.0 111.419 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 11' ' ' ARG . 2.0 tpp180 -146.07 112.05 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.707 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.1 tp -175.66 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.43 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.82 35.95 0.5 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.342 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.577 ' HE1' ' HA ' ' A' ' 10' ' ' LEU . 3.7 p90 -158.43 42.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.413 0.149 . . . . 0.0 111.35 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -26.28 67.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.346 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -56.68 -52.22 65.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.034 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -58.26 -44.87 88.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.866 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -38.72 92.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.217 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -64.91 -47.72 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.07 -44.54 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.34 0.59 . . . . 0.0 109.812 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.1 m -60.5 -38.43 84.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.083 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -33.14 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD23 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.12 -37.82 84.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.516 178.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.49 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.35 -44.78 97.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.812 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.52 -44.2 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 123.337 0.398 . . . . 0.0 111.446 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.85 -46.73 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.509 ' O ' HG21 ' A' ' 31' ' ' VAL . 70.2 t60 -62.97 -36.72 84.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 ' HB3' ' A' ' 112' ' ' PRO . 1.2 tm? -64.2 -41.16 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.95 -41.74 88.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.244 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -70.33 -33.91 72.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 27' ' ' HIS . 45.5 t -64.95 -42.21 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.0 pt-20 -78.7 -29.12 45.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -77.25 -42.38 37.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -94.52 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.59 -20.1 65.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 35.2 t70 68.41 20.16 8.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.772 0.796 . . . . 0.0 110.153 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -116.86 -141.2 0.37 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.46 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 p -179.57 -26.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.029 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -87.06 162.78 17.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.3 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt 69.17 92.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.368 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 22.1 ptmt -165.68 21.12 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.507 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 42' ' ' ARG . 7.1 ttm-85 -73.94 -62.41 1.51 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.75 -36.61 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.765 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.57 HD23 HD13 ' A' ' 74' ' ' ILE . 15.3 tp -52.15 -57.93 8.13 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.519 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 2.0 t -68.07 -37.53 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 110.212 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.56 -58.22 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.245 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.414 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 37.6 p-90 -76.18 -29.06 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.321 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' O ' HG12 ' A' ' 53' ' ' ILE . 24.0 t80 -59.3 -52.79 64.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.894 0.378 . . . . 0.0 110.615 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.614 HD13 ' HZ2' ' A' ' 67' ' ' LYS . 14.9 mt -62.57 -39.13 92.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.054 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -70.65 -27.09 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.732 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -83.49 -37.16 23.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.813 -179.104 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.65 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 29.8 pt -90.78 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 7.0 pt-20 -60.87 -23.36 65.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.32 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -32.74 72.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.384 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.65 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 7.5 pt-20 -88.17 -16.09 34.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.776 HG23 ' HB2' ' A' ' 63' ' ' LEU . 36.0 mm -73.67 91.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.058 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -84.27 -14.96 48.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 m -139.03 143.52 38.45 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.374 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.64 ' O ' HG12 ' A' ' 64' ' ' ILE . 2.6 tt0 -51.77 -44.63 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.526 0.516 . . . . 0.0 110.624 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HA ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp0 -53.99 -38.97 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.9 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.9 -43.23 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.237 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.776 ' HB2' HG23 ' A' ' 57' ' ' ILE . 17.5 tp -69.95 -39.69 75.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.822 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.891 ' HA ' HD11 ' B' ' 390' ' ' LEU . 18.7 mm -53.29 -52.96 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.548 0.689 . . . . 0.0 109.175 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.56 -52.04 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.836 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' O ' HG22 ' A' ' 70' ' ' ILE . 25.9 mmtm -57.39 -47.48 81.58 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.156 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.69 ' HD2' ' HB3' ' B' ' 389' ' ' LEU . 1.1 tppt? -65.64 -38.3 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.59 -46.65 87.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -68.08 -52.74 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.782 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 66' ' ' LYS . 9.3 tp -56.26 -42.27 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.467 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.56 -44.81 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.762 0.315 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -64.95 -39.71 93.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.338 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.47 -44.06 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.57 HD13 HD23 ' A' ' 45' ' ' LEU . 97.2 mt -63.52 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.479 . . . . 0.0 110.044 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.37 -41.62 98.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.446 0.641 . . . . 0.0 109.686 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.584 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 35.3 ttt180 -67.43 -42.9 82.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.998 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.782 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 8.5 tt -57.37 -39.32 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.625 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -36.56 30.48 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -98.17 -67.91 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.584 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 98.7 m-85 -66.38 -53.4 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.782 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 84.2 m-20 -68.83 -48.11 64.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.102 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.35 33.36 22.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.304 0.573 . . . . 0.0 110.05 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 77' ' ' LEU . 7.0 p -95.81 7.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.038 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.9 tp -90.47 130.1 36.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.276 179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.817 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.2 mt -96.85 139.42 19.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.53 151.39 48.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.975 ' HB3' HD22 ' A' ' 92' ' ' LEU . 52.3 mt -84.35 173.93 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 90' ' ' ALA . 15.0 t -158.39 37.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HG3' ' CB ' ' A' ' 101' ' ' SER . 23.4 tt0 74.0 -14.83 0.64 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.969 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 88' ' ' THR . . . -120.66 131.66 54.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.49 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.82 44.5 8.3 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.17 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.975 HD22 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -149.38 20.7 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.749 0.309 . . . . 0.0 111.51 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.581 ' HG3' ' HA ' ' A' ' 99' ' ' SER . 36.0 mmtt -136.9 -37.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.899 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.01 -29.58 11.81 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.665 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -86.93 147.16 25.88 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -25.96 64.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 0.0 110.752 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -147.78 122.89 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.793 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.7 4.01 0.91 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.9 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.581 ' HA ' ' HG3' ' A' ' 93' ' ' LYS . 68.1 m -66.93 114.73 5.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.92 -73.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.853 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.405 ' CB ' ' HG3' ' A' ' 89' ' ' GLN . 7.3 m 52.75 45.89 27.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.341 0.591 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -67.77 -26.96 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.92 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 103' ' ' GLU . 2.8 pt-20 -79.14 146.06 33.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.12 -18.3 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 111.359 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.68 132.3 21.97 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -83.2 177.4 6.6 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.07 2.514 . . . . 0.0 113.06 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -86.15 137.13 32.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.1 mm? -103.17 126.51 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.845 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.817 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -136.05 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.737 0.304 . . . . 0.0 111.155 -178.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.481 HG13 ' HZ2' ' A' ' 41' ' ' LYS . 9.8 p -115.8 149.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.17 138.02 97.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.681 0.276 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.558 ' HB3' HD12 ' A' ' 28' ' ' LEU . 47.6 Cg_endo -68.67 -8.46 23.34 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.279 2.652 . . . . 0.0 113.298 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -89.87 -69.06 0.74 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.573 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 28.5 t80 69.99 151.95 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.947 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.518 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.42 165.42 11.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.946 0.403 . . . . 0.0 111.181 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -128.55 176.35 7.83 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.871 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 122.115 0.959 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.301 -1.525 0 CA-C-N 113.844 -1.525 . . . . 0.0 110.026 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.478 0.18 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -78.95 77.28 5.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.235 0.54 . . . . 0.0 110.358 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' B' ' 388' ' ' ASP . 11.8 mt -66.28 -59.21 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.82 34.82 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.004 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 68.06 -118.7 9.79 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.7 104.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.0 109.769 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 12.5 t -159.77 163.45 34.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.647 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.24 -20.09 65.13 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.082 0.467 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.611 ' HB3' HD11 ' B' ' 382' ' ' LEU . 5.1 m-20 -56.16 -26.68 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.534 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.69 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 9.1 mt -59.56 -47.94 83.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.112 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.891 HD11 ' HA ' ' A' ' 64' ' ' ILE . 9.2 tp -82.26 -30.61 30.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.09 -27.61 69.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 109.509 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -61.68 -31.9 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.869 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -56.17 -36.97 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.614 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.471 ' HA ' ' HD2' ' B' ' 394' ' ' ARG . 17.5 mmm180 -56.88 -33.21 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.623 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.83 -11.36 19.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.746 0.784 . . . . 0.0 109.849 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.621 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 5.4 tmtm? -81.09 -34.16 32.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.327 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.4 -10.47 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.719 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -64.57 -50.05 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.777 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 396' ' ' LYS . 0.0 OUTLIER -63.04 -25.47 68.39 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -75.86 -47.7 24.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.72 0.295 . . . . 0.0 110.59 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -27.25 68.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.562 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.84 4.43 29.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.389 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -128.38 -47.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.611 0.244 . . . . 0.0 111.626 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.3 63.23 1.93 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.813 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 22.0 ptm -106.14 -1.6 23.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.761 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 406' ' ' THR . . . . . 0.404 ' HB ' ' H ' ' B' ' 407' ' ' ARG . 2.4 m 63.2 -103.81 0.13 Allowed 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.2 mtt180 -122.98 -73.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.433 . . . . 0.0 110.644 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.063 -179.494 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.81 -71.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.966 2.444 . . . . 0.0 112.612 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -154.24 -40.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.272 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.03 156.57 21.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.77 29.48 5.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 mt -78.36 -14.66 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.261 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -67.43 -46.75 72.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.013 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 mt -94.5 -95.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 17' ' ' TYR . . . -73.69 79.33 0.84 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.047 -178.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -85.59 -39.06 17.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.75 0.309 . . . . 0.0 110.447 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -62.33 -46.5 88.43 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.983 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.56 -36.9 73.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.742 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 11.6 t80 -62.6 -40.46 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 21.6 t -65.93 -38.26 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.748 178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -65.06 -42.46 94.18 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 HG23 HG22 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -66.69 -49.83 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 110.138 179.508 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.558 ' O ' HG21 ' A' ' 24' ' ' ILE . 7.6 m -64.12 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -63.35 -32.51 73.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.93 HD21 HD13 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -60.56 -43.44 97.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.891 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 21' ' ' SER . 7.8 tp -64.91 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 29.9 m -77.52 -37.94 25.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.8 mt -68.6 -46.89 68.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' O ' HG22 ' A' ' 31' ' ' VAL . 51.3 t-80 -65.15 -34.84 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.12 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 68.6 mtp180 -58.97 -38.48 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.587 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.26 -38.78 68.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.354 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 27' ' ' HIS . 55.4 t -65.49 -43.47 94.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.2 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 10.2 pt-20 -66.61 -27.9 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.392 . . . . 0.0 110.454 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -78.78 -42.62 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -88.12 -68.26 0.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.978 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -65.64 -37.35 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 66.51 18.08 10.75 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.605 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' ALA . 10.6 pt-20 -123.61 -3.63 8.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m 68.06 -34.95 0.26 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.91 0.884 . . . . 0.0 113.155 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -54.18 134.62 44.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.117 0.484 . . . . 0.0 112.17 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -136.2 176.69 8.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.811 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 44' ' ' GLU . 42.5 mttp -94.41 130.47 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.665 ' HB2' HD12 ' A' ' 108' ' ' LEU . 57.4 ttt180 -59.47 -61.73 2.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -64.77 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.676 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . 36.2 tt0 -61.55 -36.08 79.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.904 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 40' ' ' LEU . 50.1 mt -53.19 -57.49 10.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.922 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.729 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 p -72.67 -30.91 35.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 19.3 t30 -50.31 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.155 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -70.28 -29.06 65.73 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' HG12 ' A' ' 53' ' ' ILE . 39.4 t80 -56.12 -46.57 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.325 0.583 . . . . 0.0 109.696 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD11 ' HE3' ' A' ' 67' ' ' LYS . 12.7 mt -69.54 -42.98 73.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 9.9 mmtp -59.24 -29.82 67.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.441 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.57 -44.67 13.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.687 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.688 ' O ' HG12 ' A' ' 57' ' ' ILE . 43.8 pt -81.11 -21.97 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 5.1 pt-20 -59.74 -25.63 65.01 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -76.72 -21.69 54.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.491 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -103.54 -24.0 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.727 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.688 HG12 ' O ' ' A' ' 53' ' ' ILE . 42.6 mm -64.65 118.44 6.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.13 0.49 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' ' HE2' ' B' ' 400' ' ' LYS . 25.1 t70 -100.28 -25.38 14.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.071 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -104.3 130.02 52.13 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.65 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.43 -34.94 73.11 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.07 -44.18 82.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.169 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -62.05 -48.04 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.052 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.617 ' HB2' HG22 ' A' ' 57' ' ' ILE . 14.7 tp -61.56 -35.33 77.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.214 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.667 HG12 HD13 ' B' ' 390' ' ' LEU . 95.6 mt -75.5 -45.04 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.856 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.17 -51.65 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.509 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -58.85 -41.34 86.73 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.889 ' HE3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -64.35 -43.06 95.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.335 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -61.82 -47.55 84.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.473 HG22 HG23 ' A' ' 20' ' ' ILE . 23.8 mt -63.04 -53.32 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.99 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.93 HD13 HD21 ' A' ' 23' ' ' LEU . 9.9 tp -55.49 -44.32 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.041 -0.263 . . . . 0.0 111.356 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.76 -48.9 70.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 0.0 110.489 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -57.58 -41.17 80.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.981 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.17 -49.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' HA ' HD21 ' A' ' 77' ' ' LEU . 89.1 mt -60.26 -44.36 95.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.447 0.641 . . . . 0.0 110.044 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -63.08 -40.41 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 76' ' ' ARG . 21.3 ttp-105 -75.92 -31.12 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.332 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.766 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -57.46 -36.88 72.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.692 ' HB ' HD11 ' A' ' 84' ' ' LEU . 5.2 t -93.64 -14.42 26.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 111.242 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -95.9 -75.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -82.76 -42.18 18.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.766 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.831 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 61.46 32.32 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG23 ' HB3' ' A' ' 81' ' ' ASP . 18.1 m -105.87 10.88 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.068 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 108' ' ' LEU . 5.3 tt -98.85 140.27 33.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.656 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.695 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 3.2 mp -115.41 117.07 54.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -110.64 128.14 55.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.002 0.43 . . . . 0.0 110.1 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.5 mt -83.93 175.11 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.056 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.4 p -79.84 156.24 27.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -31.84 57.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.817 0.342 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.0 162.21 13.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.187 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.1 54.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.294 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.6 mt -121.08 -67.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.756 0.312 . . . . 0.0 110.754 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 -35.81 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.023 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 142.6 86.1 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.084 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -114.4 108.8 17.37 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 t -121.01 -23.02 5.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.332 0.587 . . . . 0.0 109.97 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -110.38 139.52 45.5 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.359 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.47 -96.63 2.03 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.17 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 m 58.24 56.78 4.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 110.627 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -113.59 -45.74 3.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.93 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m 54.73 39.25 31.22 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 123.773 0.67 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -93.91 -28.82 15.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.514 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.54 -32.28 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -131.27 167.03 19.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.139 0.495 . . . . 0.0 111.554 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -103.57 153.31 38.69 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.905 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.11 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.615 2.21 . . . . 0.0 111.419 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.547 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 95.6 m-85 -78.19 114.86 17.47 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD23 HD23 ' A' ' 84' ' ' LEU . 45.9 mt -94.7 135.35 36.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.604 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.695 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 8.2 t -123.29 151.2 27.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.63 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.27 143.86 37.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-80 -66.46 145.03 98.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 8.4 Cg_exo -71.58 -3.54 13.27 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.108 2.539 . . . . 0.0 113.253 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -97.9 -84.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 62.16 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.497 0.665 . . . . 0.0 110.982 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.539 HD11 ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.87 160.79 17.05 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.868 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.6 mt -120.62 -61.9 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -150.85 -54.21 0.14 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.226 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.541 178.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -131.84 109.12 9.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.664 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 31.0 tp -76.25 113.44 13.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.258 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.17 140.9 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.039 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 114.41 -3.6 23.49 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 1.5 p -130.19 156.32 42.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 7.1 m 68.5 -70.94 0.12 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.21 0.604 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.68 -47.92 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 1.0 OUTLIER -64.37 -27.98 69.39 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.119 0.485 . . . . 0.0 111.204 -179.811 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.63 -25.12 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.453 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.7 HD12 ' HD2' ' A' ' 67' ' ' LYS . 5.3 tp -86.31 -5.49 59.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.196 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 388' ' ' ASP . 5.6 pt-20 -59.89 -25.2 64.9 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -72.46 -20.77 61.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.269 0.557 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.6 mp -63.41 -25.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.357 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -59.61 -46.56 88.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.051 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.05 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.21 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -66.71 -31.69 72.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.578 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -60.26 -51.36 69.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.75 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.77 74.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.53 -36.05 79.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.519 ' HE2' ' O ' ' A' ' 58' ' ' ASP . 11.5 tptt -64.31 -25.44 68.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.333 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.48 -17.11 62.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.15 0.5 . . . . 0.0 110.316 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.47 -60.35 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.086 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 60.92 -167.05 0.19 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.1 38.12 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 25.3 mmt -66.79 -33.7 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.774 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m 53.07 80.46 0.1 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.294 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -29.92 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.657 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.028 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.88 -7.26 20.21 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.22 2.613 . . . . 0.0 112.614 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HB3' HD21 ' A' ' 10' ' ' LEU . 42.8 mttm 60.11 69.82 0.67 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.162 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.98 -24.75 23.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.465 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -111.76 -11.67 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 7' ' ' LYS . 78.0 mt 62.19 40.98 11.12 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -79.37 173.79 12.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.358 -179.199 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 tp 74.61 -71.69 0.13 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.996 0.81 . . . . 0.0 109.96 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.8 -156.94 31.0 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 56.99 38.1 29.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -66.11 -35.06 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.12 0.486 . . . . 0.0 110.189 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.03 -49.6 27.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.336 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.44 -39.03 75.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.899 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -62.12 -47.61 83.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.636 HD12 ' HG3' ' A' ' 66' ' ' LYS . 1.1 mp -74.43 -50.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.099 0.476 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -61.17 -36.18 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -58.98 -35.97 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.721 HD23 HD13 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -57.95 -44.25 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.513 179.564 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 24' ' ' ILE . 3.5 mm -60.51 -49.69 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.47 -51.28 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.886 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.07 -41.66 99.48 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 t-80 -73.91 -39.44 63.84 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.465 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 38' ' ' SER . 1.6 tm? -61.76 -45.83 92.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.4 ptm180 -63.52 -29.74 70.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.176 0.512 . . . . 0.0 110.209 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.87 -41.92 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.376 0.607 . . . . 0.0 109.632 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.598 HG22 HD23 ' A' ' 40' ' ' LEU . 49.5 t -65.88 -44.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.53 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 pt-20 -64.71 -28.65 69.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.977 0.418 . . . . 0.0 110.264 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -70.06 -39.19 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -102.09 -68.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.14 -40.49 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.441 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.23 -6.66 1.49 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.379 0.671 . . . . 0.0 111.944 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.04 -22.04 24.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 0.0 111.349 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.3 m 58.92 20.53 8.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.3 138.88 31.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD23 HG22 ' A' ' 31' ' ' VAL . 41.3 mt -144.88 164.04 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.148 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -101.68 139.07 37.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.963 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -54.02 -63.13 1.25 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 1.3 m -64.66 -28.59 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.11 -40.44 64.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.544 HD23 HD21 ' A' ' 23' ' ' LEU . 3.1 mt -54.49 -52.36 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.157 0.503 . . . . 0.0 110.853 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.712 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -72.52 -33.16 44.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.781 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 43' ' ' SER . 50.5 t30 -50.31 -59.54 3.87 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.33 -29.43 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.51 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 53' ' ' ILE . 36.2 t80 -53.91 -52.59 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.377 0.608 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.925 HD23 ' HZ3' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -68.64 -45.73 71.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 -179.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.43 -27.85 62.77 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -83.65 -45.01 13.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.62 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.9 pt -89.02 -11.08 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.517 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.0 pt-20 -65.41 -25.05 67.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.53 -24.45 60.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.516 0.198 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -101.83 10.09 40.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.457 0.646 . . . . 0.0 110.082 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.681 HG22 ' HB2' ' A' ' 63' ' ' LEU . 13.4 mm -82.4 108.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.843 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -21.03 37.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.183 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.571 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 0.5 OUTLIER -135.98 129.33 31.94 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.602 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 16.9 pm0 -53.08 -39.83 63.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.575 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.673 ' HA ' HD11 ' A' ' 64' ' ' ILE . 27.5 mt-10 -53.17 -35.24 59.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.146 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.8 mm-40 -63.24 -41.92 99.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.681 ' HB2' HG22 ' A' ' 57' ' ' ILE . 21.6 tp -74.01 -36.63 64.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.107 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.762 HG22 HD23 ' B' ' 390' ' ' LEU . 9.9 mt -62.92 -49.59 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 t30 -61.07 -50.67 72.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.28 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.636 ' HG3' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -55.99 -40.47 73.36 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.925 ' HZ3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.51 -49.19 72.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.362 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 17.8 tpp180 -62.54 -40.74 97.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.587 HG22 HG21 ' A' ' 20' ' ' ILE . 42.9 mt -65.37 -53.24 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.31 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.721 HD13 HD23 ' A' ' 23' ' ' LEU . 9.6 tp -60.35 -37.1 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.557 0.218 . . . . 0.0 111.204 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.15 -47.49 64.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 109.774 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -60.45 -46.69 89.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.612 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.407 HG11 ' O ' ' A' ' 69' ' ' ILE . 33.9 m -59.14 -36.56 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.523 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.44 -40.98 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -65.31 -39.73 92.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.293 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.627 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 57.0 ttp180 -69.79 -40.95 75.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD13 ' HE1' ' A' ' 114' ' ' TYR . 8.6 tp -63.24 -42.73 99.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.601 HG23 ' HG ' ' A' ' 84' ' ' LEU . 17.2 p -84.24 4.06 32.54 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -134.47 -60.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.144 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.627 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.4 m-85 -75.28 -54.72 6.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.712 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.607 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 12.8 m-20 -63.08 -50.29 71.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 m170 65.69 17.78 10.99 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.795 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.75 19.36 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.259 1.028 . . . . 0.0 109.536 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -94.27 124.98 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.28 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.986 ' HB ' HG11 ' A' ' 109' ' ' VAL . 8.1 mt -87.51 133.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.97 147.52 49.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.522 . . . . 0.0 111.049 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 107' ' ' TYR . 6.4 mp -97.35 165.37 12.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.764 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.7 p -81.14 115.81 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -52.72 -41.19 63.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.76 79.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.707 0.289 . . . . 0.0 111.325 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.7 74.85 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.303 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -112.31 16.92 19.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 109.636 179.215 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -116.85 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.352 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.82 -13.12 2.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.077 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 m 58.41 22.54 9.61 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.506 HG23 ' HG2' ' A' ' 97' ' ' GLU . 5.1 t 170.68 -19.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.085 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' HG2' HG23 ' A' ' 96' ' ' THR . 34.2 mm-40 -117.62 150.29 39.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.759 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.93 -109.29 3.55 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.466 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 m 61.94 25.39 15.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.763 0.425 . . . . 0.0 111.764 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.601 ' HB2' ' HD1' ' A' ' 102' ' ' TYR . 56.2 mt-10 -120.47 154.2 35.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -84.27 30.7 0.52 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.755 0.312 . . . . 0.0 111.693 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.601 ' HD1' ' HB2' ' A' ' 100' ' ' GLU . 25.2 p90 -84.23 -16.98 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.208 0.528 . . . . 0.0 110.328 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.42 176.62 6.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.613 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.85 -175.54 5.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.743 0.306 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.88 146.94 95.85 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.17 -160.96 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.661 2.241 . . . . 0.0 112.192 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.674 ' HB2' HD11 ' A' ' 87' ' ' LEU . 39.6 m-85 -82.69 126.86 32.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' A' ' 84' ' ' LEU . 60.2 mt -111.62 130.79 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.986 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -134.67 138.62 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.052 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 p -101.71 145.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -64.17 130.19 94.43 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.49 -11.55 14.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.123 2.549 . . . . 0.0 112.863 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -83.9 -65.7 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.712 ' HE1' HD13 ' A' ' 77' ' ' LEU . 6.2 t80 65.59 172.75 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -150.74 174.81 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.6 179.845 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.2 -176.33 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.654 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.36 -29.12 64.59 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.356 -179.682 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.078 0.466 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -90.64 83.79 5.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 133.03 48.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -147.04 91.09 1.96 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.087 0.47 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -79.78 91.14 1.28 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' B' ' 389' ' ' LEU . 42.1 t -74.98 110.3 9.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 111.541 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 66.2 m -156.82 -91.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.306 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -72.73 -33.62 66.53 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' B' ' 391' ' ' GLU . 6.1 p-10 -64.86 -10.76 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.585 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . 0.6 ' HG ' ' HD2' ' A' ' 67' ' ' LYS . 4.1 tp -55.43 -51.88 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.455 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.762 HD23 HG22 ' A' ' 64' ' ' ILE . 28.8 tp -87.65 -13.02 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.796 ' HG2' ' HE ' ' B' ' 394' ' ' ARG . 3.4 tt0 -70.75 -10.98 60.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.617 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -28.51 34.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.524 0.678 . . . . 0.0 109.903 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.637 HG23 ' CG1' ' A' ' 64' ' ' ILE . 1.7 mp -58.69 -36.21 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.73 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.796 ' HE ' ' HG2' ' B' ' 391' ' ' GLU . 23.2 ptt85 -59.49 -23.29 62.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 111.321 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -100.97 -17.22 16.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.555 0.693 . . . . 0.0 109.713 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.463 ' HD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -81.69 -29.86 32.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.993 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' B' ' 400' ' ' LYS . 1.2 pp20? -58.96 -30.66 68.09 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.89 67.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -59.65 -23.3 62.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.12 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 59' ' ' SER . 8.4 mtmm -68.7 -29.36 67.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.677 0.275 . . . . 0.0 110.944 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -77.37 -26.68 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 0.0 109.887 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' B' ' 408' ' ' TRP . 8.7 mp -92.47 -7.96 45.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.426 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.88 1.96 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.585 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 65.44 19.67 11.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.309 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 24.9 ttt -84.98 -49.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.31 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 406' ' ' THR . . . . . 0.415 ' HB ' ' CZ3' ' B' ' 408' ' ' TRP . 5.1 m -152.96 69.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.865 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 60.08 52.35 5.18 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.593 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . 0.447 ' HB2' ' O ' ' B' ' 402' ' ' LEU . 7.4 m0 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.292 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.29 -37.1 42.25 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.82 161.75 24.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.08 63.56 1.23 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.399 0.619 . . . . 0.0 110.883 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -92.77 -12.51 31.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.41 -18.05 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 111.131 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -80.85 100.38 8.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.784 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.873 HD23 ' HE2' ' A' ' 17' ' ' TYR . 1.1 pt? -178.66 -31.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.525 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.21 -49.53 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 5.1 t80 72.61 3.98 4.85 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 124.187 0.581 . . . . 0.0 111.098 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -48.41 73.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.134 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -73.39 -38.6 65.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.4 -179.299 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.873 ' HE2' HD23 ' A' ' 12' ' ' LEU . 53.0 m-85 -59.67 -45.18 92.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 40.5 m -61.23 -47.92 83.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -63.36 -36.24 83.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.045 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 1.4 mp -77.83 -51.83 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -60.08 -31.85 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 18' ' ' SER . 65.3 t30 -62.33 -35.05 77.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD22 HD12 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -59.14 -41.23 87.77 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 24' ' ' ILE . 3.5 mm -62.73 -47.56 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.46 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 83.4 mt -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.712 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.593 ' HE1' HD23 ' A' ' 40' ' ' LEU . 49.1 t-80 -63.13 -45.8 90.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.602 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -63.08 -49.69 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.5 0.19 . . . . 0.0 111.038 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -61.43 -31.36 71.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.138 -179.314 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -73.19 -54.77 7.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.02 -36.15 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 5.7 pt-20 -70.12 -29.03 65.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.67 -35.05 30.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.69 -62.98 1.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -106.03 -78.79 0.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.184 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -178.96 -54.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.384 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.11 -42.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m 71.12 -48.29 0.67 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.9 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 54.92 89.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.345 0.658 . . . . 0.0 112.147 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.593 HD23 ' HE1' ' A' ' 27' ' ' HIS . 2.2 mm? -100.63 -151.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' H ' ' HB3' ' A' ' 40' ' ' LEU . 16.6 mttm -125.81 163.33 23.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' O ' HG22 ' A' ' 46' ' ' VAL . 12.9 ptm180 -60.23 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.021 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -30.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.13 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.32 -37.83 71.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.663 HD11 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -62.44 -42.05 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 178.744 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.688 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 19.9 t -73.22 -34.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.135 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -50.13 -59.53 3.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.139 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.663 ' HE1' HD11 ' A' ' 45' ' ' LEU . 48.5 p-90 -68.74 -29.43 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.029 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.453 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 19.2 t80 -60.29 -51.55 69.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.196 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -63.02 -37.06 85.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.962 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -29.11 69.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.097 0.475 . . . . 0.0 110.93 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 32.2 mm-40 -84.54 -36.04 22.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.458 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.634 ' O ' HG12 ' A' ' 57' ' ' ILE . 20.3 pt -87.9 -13.48 10.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 10.1 pt-20 -60.09 -24.07 64.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.855 0.359 . . . . 0.0 111.364 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -24.59 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.28 -17.75 20.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.161 0.505 . . . . 0.0 110.044 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.99 HG21 ' HB2' ' A' ' 63' ' ' LEU . 23.9 mm -86.05 98.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.767 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.9 -12.28 25.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.13 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.07 128.88 48.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.739 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.67 -35.71 66.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -54.49 -36.58 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.521 0.2 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HB3' HD12 ' A' ' 57' ' ' ILE . 44.8 mm-40 -66.55 -46.77 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.184 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.99 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.0 tp -65.92 -49.66 67.22 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.705 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.758 HG12 HD21 ' B' ' 390' ' ' LEU . 22.0 mt -55.58 -36.29 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.129 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.456 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.5 t30 -71.29 -46.75 60.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.101 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -58.08 -44.19 87.45 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.588 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.679 ' HE2' HD21 ' A' ' 50' ' ' LEU . 65.6 mttt -65.72 -34.51 78.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.186 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -66.93 -42.98 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.893 178.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 65' ' ' ASN . 37.3 mm -70.38 -48.16 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.606 HG21 HG11 ' A' ' 46' ' ' VAL . 11.0 tp -58.04 -39.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.273 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.59 -36.21 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.405 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -58.93 -50.56 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.33 -40.81 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.034 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.29 -41.67 91.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.92 -43.83 94.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.17 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.649 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 12.2 ttm180 -68.13 -38.76 82.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.81 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HG ' HG11 ' A' ' 83' ' ' VAL . 6.7 tt -60.94 -44.44 97.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.078 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 84' ' ' LEU . 17.4 p -85.26 3.99 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -132.96 -68.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.21 -0.596 . . . . 0.0 112.144 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.649 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.0 m-85 -72.85 -66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -177.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.31 -44.4 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.49 33.52 16.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.404 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 111' ' ' ASN . 7.1 p -90.45 13.86 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 122.2 1.0 . . . . 0.0 109.795 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 78' ' ' THR . 1.4 pt? -91.24 147.0 23.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.751 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.904 ' HB ' HG11 ' A' ' 109' ' ' VAL . 8.7 mt -118.36 129.36 74.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.492 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.18 151.0 47.3 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.075 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -101.1 -160.61 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.1 p -84.19 -170.73 3.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -122.04 -26.82 4.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.973 0.416 . . . . 0.0 110.09 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 95' ' ' SER . . . -112.98 -32.28 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.12 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.91 -18.76 62.51 Favored Glycine 0 C--N 1.329 0.194 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.392 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.91 -43.22 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.166 0.508 . . . . 0.0 110.36 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -88.64 -26.45 21.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.74 12.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.197 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.3 m -79.09 124.11 27.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.7 0.286 . . . . 0.0 110.334 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -114.02 154.03 28.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 62.68 84.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.656 0.598 . . . . 0.0 111.225 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.11 160.71 9.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.248 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.9 m -133.53 125.62 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -100.91 128.09 47.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 m -89.6 -23.15 22.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.442 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -12.84 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.182 0.515 . . . . 0.0 110.928 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.02 -21.65 66.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.109 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 105' ' ' ASP . 8.2 tp10 70.75 174.39 0.3 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.707 0.629 . . . . 0.0 111.187 179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' H ' ' HG3' ' A' ' 104' ' ' GLU . 10.7 t70 -49.0 129.33 15.02 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.154 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.94 -172.36 0.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.88 2.386 . . . . 0.0 112.448 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.52 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 39.2 m-85 -70.56 131.92 44.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.318 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -116.56 129.04 55.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.059 0.457 . . . . 0.0 110.186 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.904 HG11 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -143.14 143.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.14 139.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.877 0.37 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.471 ' HB3' HG23 ' A' ' 83' ' ' VAL . 26.0 t30 -67.38 125.64 91.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.861 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.55 -18.3 14.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.066 2.511 . . . . 0.0 112.307 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.42 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 16.2 m120 -89.42 48.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.392 0.615 . . . . 0.0 109.378 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -73.15 150.86 41.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.372 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.99 174.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.1 mt -101.65 -61.44 1.38 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -175.86 -46.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.465 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.394 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.869 0.366 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -114.95 172.13 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.664 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.09 165.85 24.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 161.58 40.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -70.1 126.22 16.43 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.432 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.0 149.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.11 0.481 . . . . 0.0 110.741 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 386' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' B' ' 390' ' ' LEU . 0.0 OUTLIER -97.76 9.46 42.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.731 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.87 -25.89 68.36 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.339 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.08 -53.67 55.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.466 0.65 . . . . 0.0 110.159 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.51 -15.63 58.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.533 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.758 HD21 HG12 ' A' ' 64' ' ' ILE . 1.4 tp -89.47 -7.4 55.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.311 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.789 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 13.3 tt0 -58.08 -37.6 74.79 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.006 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -62.4 -23.08 66.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.326 0.584 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.714 HD13 ' HG ' ' B' ' 390' ' ' LEU . 11.6 mt -71.27 -25.84 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.607 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.789 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 4.2 ptp180 -63.29 -24.77 68.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.585 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.76 17.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.18 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.337 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.65 -37.68 76.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.961 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.89 85.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.653 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.19 -40.22 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.409 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -64.63 -43.16 94.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -73.91 -14.96 61.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.194 0.521 . . . . 0.0 110.378 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.68 -10.8 44.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.135 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -77.37 -146.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.67 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 69.36 108.84 0.05 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.094 0.473 . . . . 0.0 110.52 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' MET . . . . . 0.527 ' O ' ' HD3' ' B' ' 407' ' ' ARG . 12.7 tpt -65.34 -28.44 69.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 116.56 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.337 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' B' ' 405' ' ' MET . 0.0 OUTLIER -96.99 -21.15 17.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.683 0.278 . . . . 0.0 111.294 -179.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.608 -179.192 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 118.26 5.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.556 2.17 . . . . 0.0 111.727 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -143.25 -175.9 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 69.93 170.28 0.31 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.022 0.826 . . . . 0.0 111.556 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -90.35 -168.77 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 tp 56.07 37.3 28.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.377 0.608 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -134.51 14.49 3.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.723 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 mt -97.24 -109.42 0.16 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.586 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.73 -62.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.653 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 33.4 p90 34.36 49.11 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 113.482 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 11.0 m -64.55 -44.28 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -61.88 -48.5 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.653 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 18.8 m-85 -57.05 -42.23 80.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.125 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 m -62.64 -43.16 99.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 15' ' ' SER . 38.9 mmt180 -63.29 -36.79 84.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.861 0.362 . . . . 0.0 111.265 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.504 HG22 HD12 ' A' ' 70' ' ' ILE . 1.6 mp -77.41 -47.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.68 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -36.43 75.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.36 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.46 -33.58 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.601 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.493 ' HA ' HD12 ' A' ' 24' ' ' ILE . 5.0 mm -60.37 -52.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.14 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HB ' ' NH2' ' A' ' 29' ' ' ARG . 12.4 m -69.09 -43.25 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.278 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.84 -47.22 83.28 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.037 0.446 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -70.59 -44.6 66.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.895 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.03 -50.69 72.56 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' NH2' ' HB ' ' A' ' 25' ' ' VAL . 7.6 ptp180 -61.38 -35.03 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -40.08 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.301 0.572 . . . . 0.0 110.369 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.98 -51.46 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.388 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.46 -27.8 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.77 -43.03 76.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.321 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.89 -66.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.24 -37.02 85.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t0 64.3 30.59 13.35 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.692 0.758 . . . . 0.0 110.027 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -154.05 106.09 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.749 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.806 ' HB3' HG21 ' A' ' 109' ' ' VAL . 7.5 t -69.11 -10.6 58.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.373 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.859 ' HB2' ' HB3' ' A' ' 107' ' ' TYR . . . -72.25 88.61 1.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -138.6 161.55 36.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.286 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 43.1 mttm -69.36 131.88 45.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 110.495 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -77.15 -19.25 57.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.777 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 m -60.54 -42.45 96.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 12.6 pt-20 -71.69 -29.51 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.643 HD13 ' HE1' ' A' ' 48' ' ' TRP . 58.0 tp -54.62 -48.63 71.99 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 121.067 0.461 . . . . 0.0 110.037 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 34.3 t -72.51 -33.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.46 ' O ' ' HD2' ' A' ' 51' ' ' LYS . 32.4 t30 -55.61 -58.83 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.687 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.643 ' HE1' HD13 ' A' ' 45' ' ' LEU . 44.0 p-90 -66.34 -29.58 69.8 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.873 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -59.52 -50.24 74.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.168 0.509 . . . . 0.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 11.7 mt -68.85 -35.84 77.42 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.911 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -67.7 -23.05 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 74.3 mm-40 -83.52 -36.24 24.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.576 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.6 pt -99.46 -6.57 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 8.4 pt-20 -54.11 -29.66 45.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -23.5 43.22 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -94.92 -30.27 14.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.082 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.595 HG23 ' HB2' ' A' ' 63' ' ' LEU . 35.3 mm -72.01 105.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.735 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.65 -15.29 16.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.571 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -113.08 130.49 56.15 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.426 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.686 ' O ' HG12 ' A' ' 64' ' ' ILE . 1.5 tp10 -55.1 -42.22 72.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.175 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 56.5 mp0 -56.93 -38.35 72.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.023 -0.99 . . . . 0.0 112.315 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 59' ' ' SER . 78.2 mm-40 -61.87 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.595 ' HB2' HG23 ' A' ' 57' ' ' ILE . 4.8 tp -66.8 -41.54 87.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' GLU . 5.0 mm -57.94 -47.02 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 1.3 t30 -60.67 -49.77 76.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.01 -43.11 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 110.432 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.838 ' HD2' HD11 ' B' ' 390' ' ' LEU . 13.1 ttmm -69.35 -43.61 73.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.867 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 6.0 ptp180 -60.62 -25.2 66.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.483 0.182 . . . . 0.0 111.265 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 65' ' ' ASN . 32.5 mm -87.86 -53.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.509 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.618 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.3 tp -56.43 -44.07 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.174 0.296 . . . . 0.0 111.205 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -61.93 -56.85 14.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.624 0.726 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.34 -44.51 75.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.98 -48.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.518 0.199 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.75 -41.7 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 109.939 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.34 -42.74 99.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.901 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -68.4 -46.39 70.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.739 HD12 HD23 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -58.98 -39.2 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.997 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 HG21 ' HG ' ' A' ' 84' ' ' LEU . 17.8 p -83.76 -15.92 46.71 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -116.44 -75.4 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 92.5 m-85 -59.29 -54.35 47.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 39.7 m-20 -66.72 -40.41 88.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.653 0.263 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 60.23 20.86 10.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.19 7.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 122.245 1.021 . . . . 0.0 109.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.739 HD23 HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -101.67 126.11 48.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.704 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.942 ' HB ' HG11 ' A' ' 109' ' ' VAL . 3.4 mt -93.56 141.91 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.544 ' HB3' ' HG2' ' A' ' 106' ' ' PRO . 1.6 mt-10 -128.14 98.26 5.05 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.397 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp 170.65 170.01 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.991 0.807 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.478 HG22 HD21 ' A' ' 92' ' ' LEU . 2.9 t -144.15 1.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.096 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.408 ' H ' HD11 ' A' ' 92' ' ' LEU . 4.9 tt0 71.02 -46.31 0.63 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.25 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 134.53 51.69 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.413 . . . . 0.0 111.98 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.6 -61.81 3.2 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.974 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD21 HG22 ' A' ' 88' ' ' THR . 0.6 OUTLIER -72.15 -7.29 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.74 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -143.4 -56.32 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.835 0.35 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.01 -175.49 50.66 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -175.96 4.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.35 0.119 . . . . 0.0 110.807 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.8 p 53.53 -155.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.476 0.71 . . . . 0.0 111.674 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -113.16 -47.21 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 0.0 110.324 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -83.49 1.56 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.564 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 p -121.74 -175.7 3.15 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.63 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 4.6 pt-20 -78.34 76.11 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.556 0.693 . . . . 0.0 110.528 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -90.22 42.83 1.12 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.63 ' CE2' ' HB2' ' A' ' 100' ' ' GLU . 18.1 p90 -75.77 -13.01 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -71.4 151.48 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.54 -25.81 59.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.888 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.28 152.59 38.31 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.456 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.544 ' HG2' ' HB3' ' A' ' 86' ' ' GLU . 56.3 Cg_endo -71.6 -177.66 2.59 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.788 2.326 . . . . 0.0 113.568 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.859 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . 32.5 m-85 -84.63 122.59 29.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.644 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.5 mm? -82.28 122.77 28.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.942 HG11 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.18 138.47 54.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.58 142.54 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' OD1' HD11 ' A' ' 85' ' ' ILE . 11.3 m120 -102.04 147.62 34.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.284 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.62 -6.45 18.57 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.669 2.246 . . . . 0.0 112.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.83 -63.22 1.22 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.628 ' HH ' ' HB2' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 53.83 -154.41 0.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.412 -179.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.437 HD22 ' HD1' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -147.95 23.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.932 0.396 . . . . 0.0 110.978 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.85 153.59 48.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.15 -23.54 47.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 C--O 1.248 0.991 0 O-C-N 124.241 0.963 . . . . 0.0 110.529 -179.388 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.938 0.399 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -91.08 124.3 35.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.897 0.379 . . . . 0.0 111.082 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 86.9 mt -108.73 -54.95 2.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -116.33 150.04 38.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.374 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -112.64 -14.03 10.85 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.903 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.71 107.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.395 0.617 . . . . 0.0 110.681 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.96 7.28 39.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -57.75 -19.78 30.23 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.137 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -16.97 35.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.84 -9.04 41.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.821 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 390' ' ' LEU . . . . . 0.838 HD11 ' HD2' ' A' ' 67' ' ' LYS . 3.0 tp -69.37 -6.97 33.33 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' GLU . . . . . 0.725 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 7.2 pt-20 -65.4 -17.28 64.42 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.387 0.613 . . . . 0.0 109.644 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' B' ' 392' ' ' ARG . 5.9 tpp180 -78.63 -21.42 48.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.532 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' ILE . . . . . 0.69 ' O ' ' HG3' ' B' ' 396' ' ' LYS . 26.2 mm -70.75 -28.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.768 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.725 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 26.8 ptt180 -69.07 -25.61 64.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 109.792 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' LYS . . . . . 0.69 ' HG3' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -69.58 -13.24 62.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.484 ' HA ' ' OE1' ' B' ' 397' ' ' GLU . 20.8 tp10 -61.13 -43.51 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.101 0.477 . . . . 0.0 110.368 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.59 74.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.323 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.34 -37.51 83.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -71.36 -28.66 64.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -93.62 -1.47 55.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.095 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' B' ' 402' ' ' LEU . 4.0 tp -61.52 -15.84 41.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.779 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -61.53 126.07 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -60.33 102.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.751 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.86 -31.86 35.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.489 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 105.36 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.349 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -132.33 14.89 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 27.1 t90 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.9 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 m -62.13 -44.98 95.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.737 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -41.79 99.51 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.949 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.67 -45.46 86.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.473 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 m -66.38 -40.64 89.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 0.0 110.865 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 9.9 tpt180 -63.62 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 73' ' ' VAL . 1.5 mp -78.54 -49.92 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -57.27 -37.11 71.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.502 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.87 -35.98 75.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.57 -36.52 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.731 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 24' ' ' ILE . 1.6 mm -70.39 -52.34 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.73 -43.66 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -66.31 -49.33 67.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -68.93 -30.97 69.53 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.337 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 110' ' ' VAL . 29.9 tp -74.4 -47.48 33.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.849 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.641 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 13.9 ptm180 -62.0 -29.67 70.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 110.533 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -70.73 -45.39 64.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.55 -34.62 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.4 pt-20 -68.79 -29.39 67.74 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -71.46 -31.35 67.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.658 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -83.89 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.162 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 16.0 mm-40 -107.37 -83.27 0.54 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.418 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' A' ' 35' ' ' GLU . 34.8 t70 -177.81 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -164.04 99.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.14 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.01 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.637 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.37 -179.57 0.13 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.645 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? 54.73 71.82 0.51 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.644 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -154.97 59.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.899 0.381 . . . . 0.0 111.652 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -62.2 1.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -32.84 41.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.09 -43.3 86.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.559 HD12 ' HE1' ' A' ' 48' ' ' TRP . 20.9 tp -57.17 -45.27 83.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.685 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.803 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.2 t -72.53 -42.89 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.038 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -50.87 -58.8 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.69 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' HE1' HD12 ' A' ' 45' ' ' LEU . 24.4 p-90 -66.41 -30.21 70.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.886 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 19' ' ' ARG . 19.3 t80 -61.67 -51.02 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.119 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 12.0 mt -62.69 -41.51 99.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.835 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -67.07 -23.99 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.317 . . . . 0.0 111.844 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -84.39 -37.45 21.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.912 0.387 . . . . 0.0 111.824 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.678 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 38.6 pt -95.46 -10.16 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt-20 -59.24 -23.83 62.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 m -76.61 -28.1 55.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 5.0 pt-20 -93.73 -21.19 19.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.311 0.577 . . . . 0.0 109.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 62' ' ' GLU . 30.5 mm -81.05 91.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.269 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -94.12 -7.23 43.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -118.34 133.56 55.79 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.866 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 64' ' ' ILE . 57.5 tt0 -56.17 -37.98 70.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.24 -48.53 68.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.186 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 57' ' ' ILE . 15.8 mm-40 -55.9 -50.92 69.36 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.892 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 8.8 tp -59.16 -48.32 82.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.231 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 60' ' ' GLU . 45.5 mt -58.76 -39.56 77.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.2 t30 -69.04 -48.43 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.778 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -59.78 -42.08 92.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.934 ' HD2' HD12 ' B' ' 390' ' ' LEU . 88.3 mttt -68.23 -35.35 77.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.841 0.353 . . . . 0.0 110.408 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -64.87 -46.92 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.0 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 65' ' ' ASN . 45.5 mm -66.9 -48.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.158 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.577 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.9 tp -58.99 -41.69 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.114 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.52 -45.9 71.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.137 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -61.45 -39.19 89.93 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HG21 ' A' ' 20' ' ' ILE . 38.7 t -65.41 -46.85 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.589 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.93 -42.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.998 0.428 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -63.24 -40.32 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.237 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.658 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 42.7 ttp180 -70.66 -42.48 70.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.815 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.6 tt -56.08 -40.13 73.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.28 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.659 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 4.2 p -87.1 3.35 46.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.724 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -141.6 -82.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.658 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.0 m-85 -55.71 -52.08 65.1 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 47.4 m-20 -69.31 -39.51 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 56.85 39.56 29.47 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.886 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.549 HG23 ' HG ' ' A' ' 77' ' ' LEU . 6.7 m -103.47 11.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.518 0.675 . . . . 0.0 109.893 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -90.95 155.43 18.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.921 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.861 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.2 mt -128.09 136.13 61.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.38 119.18 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.861 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -140.69 153.65 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 28' ' ' LEU . 3.4 p -115.82 144.83 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.516 0.198 . . . . 0.0 111.358 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.8 t30 -78.75 131.01 68.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.899 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 17.3 Cg_exo -67.58 -5.27 13.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.984 2.456 . . . . 0.0 112.964 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.82 -67.85 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.321 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 83' ' ' VAL . 1.6 t80 59.87 -164.46 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.511 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.131 -0.355 . . . . 0.0 111.75 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.934 HD12 ' HD2' ' A' ' 67' ' ' LYS . 6.1 tp . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 15.7 tt0 -57.58 -29.94 64.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -22.36 62.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.487 0.661 . . . . 0.0 110.556 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 63' ' ' LEU . 9.2 mt -72.34 -31.65 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.05 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 22.2 ptt85 -59.64 -32.27 70.29 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.132 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -85.06 -30.11 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.234 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 36.8 m-85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -54.73 -48.66 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.047 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.89 -43.16 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.568 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 31.7 m-85 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -61.5 -43.19 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -48.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.423 . . . . 0.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -57.54 -43.31 84.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.39 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.04 -41.3 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.079 0.466 . . . . 0.0 110.355 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.431 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.3 mm -65.76 -47.82 84.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.88 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.64 -49.71 79.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.757 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.53 -49.1 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.628 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.78 -46.83 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.74 -38.68 89.79 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.679 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.19 -45.81 91.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 110.661 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.21 -41.91 84.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.34 0.59 . . . . 0.0 110.08 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.48 -51.7 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.453 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.904 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 14.3 pt-20 -61.32 -31.69 71.55 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.787 0.327 . . . . 0.0 111.385 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.83 -38.63 61.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -85.77 -63.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -115.76 -0.03 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.904 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER 69.13 -75.42 0.07 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.412 0.685 . . . . 0.0 112.19 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -113.0 84.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 29.69 7.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HG22 ' A' ' 109' ' ' VAL . . . 53.8 -149.01 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.634 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -155.95 -37.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.555 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.465 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.2 mttp 65.73 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.66 0.6 . . . . 0.0 110.617 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.613 ' HB3' HG21 ' A' ' 74' ' ' ILE . 1.7 ptm180 -53.49 -52.61 59.02 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -58.46 -37.85 76.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.25 . . . . 0.0 111.546 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.21 -43.56 51.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 48' ' ' TRP . 3.6 mt -53.74 -51.79 62.21 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.466 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.862 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 31.7 t -66.0 -40.8 88.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.745 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 43' ' ' SER . 62.2 t30 -52.01 -60.7 2.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.861 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.452 ' HE1' HD23 ' A' ' 45' ' ' LEU . 53.7 p-90 -68.12 -28.85 67.68 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.094 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 33.7 t80 -60.81 -46.39 90.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.169 0.509 . . . . 0.0 109.897 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.862 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 18.1 mt -62.24 -41.3 98.3 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -62.7 -23.77 67.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.474 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.44 -25.59 28.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' ILE . 31.5 pt -112.78 -4.21 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 11.5 pt-20 -61.6 -21.97 64.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 m -90.1 -19.64 24.08 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.983 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.3 pt-20 -86.28 -29.5 23.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 62' ' ' GLU . 37.4 mm -76.93 124.83 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.831 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -113.68 -23.64 9.61 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.48 0.657 . . . . 0.0 109.773 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.556 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 3.2 m -111.06 158.19 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.156 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -38.21 78.52 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.001 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.21 -45.72 83.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.793 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.906 ' HB2' HG23 ' A' ' 57' ' ' ILE . 15.8 mt-10 -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.74 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.707 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 9.7 tp -65.16 -48.29 74.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.682 ' HA ' HD11 ' B' ' 390' ' ' LEU . 96.8 mt -60.54 -40.6 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -47.88 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.737 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -62.68 -47.48 83.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.401 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.707 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 58.1 mttt -67.88 -34.72 77.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.91 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 41.8 ttp180 -63.51 -44.3 94.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.359 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.31 -49.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.789 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.685 HG21 HG13 ' A' ' 46' ' ' VAL . 10.0 tp -56.16 -44.33 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.91 -37.22 67.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.248 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 31.0 ttpt -65.01 -37.62 88.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.98 -44.44 99.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 42' ' ' ARG . 55.7 mt -65.12 -39.87 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.421 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.79 -36.65 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.522 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 44.3 ttp180 -71.53 -44.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.887 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 16.1 tp -56.95 -40.85 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.898 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.838 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.3 p -83.24 -2.1 54.76 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -132.1 -76.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.939 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.757 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 48.4 m-85 -61.66 -50.22 73.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.569 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.887 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 22.7 m-20 -65.34 -51.86 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 59.68 29.72 19.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.249 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 81' ' ' ASP . 8.1 p -111.88 30.47 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 122.586 1.184 . . . . 0.0 109.736 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.838 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.0 OUTLIER -90.44 160.47 16.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.546 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.785 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 10.2 mt -123.04 127.86 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 110.743 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 98.1 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 84' ' ' LEU . 74.0 mt -109.13 135.78 49.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.083 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.785 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 4.6 t -125.72 166.23 22.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.932 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 109' ' ' VAL . 11.8 p -126.47 139.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -67.94 136.21 92.06 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.84 -19.67 40.2 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.891 2.394 . . . . 0.0 112.339 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.82 62.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 109.23 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 77' ' ' LEU . 56.4 t80 -94.15 119.92 33.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.722 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.689 ' HA ' HD13 ' B' ' 393' ' ' ILE . 2.5 tp . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.876 0.369 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 6.2 mm-40 -64.91 -14.1 58.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.229 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.89 -22.67 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 109.671 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.689 HD13 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -62.06 -38.67 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.305 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 7.7 ptp180 -60.86 -29.42 69.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.22 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.09 -39.02 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.493 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' CB ' ' A' ' 17' ' ' TYR . 98.0 m-85 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.927 0.394 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -47.91 84.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.25 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.6 71.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.67 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' PHE . 1.9 t80 -58.4 -43.6 88.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.426 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.02 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.736 0.303 . . . . 0.0 111.596 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.5 -38.86 71.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.871 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 73' ' ' VAL . 1.6 mp -77.78 -48.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.489 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 p -53.34 -44.96 68.9 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.602 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.513 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -64.64 -37.22 86.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.79 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -60.08 -36.82 78.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 23' ' ' LEU . 3.1 mm -70.28 -51.91 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 22' ' ' ASN . 7.2 p -66.69 -39.98 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.25 -47.36 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.653 0.263 . . . . 0.0 111.491 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -63.5 -42.46 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 112' ' ' PRO . 1.9 tm? -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.132 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 ptm180 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -72.75 -52.68 14.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.781 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.06 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -72.07 -27.9 62.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.087 -0.383 . . . . 0.0 111.546 -179.578 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.48 -39.13 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.26 -64.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.4 pt-20 -94.69 -8.11 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.9 m-20 61.29 32.99 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.235 0.54 . . . . 0.0 110.596 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -125.77 94.02 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.748 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -83.68 -23.6 31.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.128 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . . . -90.55 125.34 35.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.84 -164.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -88.36 130.28 35.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -28.83 65.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.4 -35.6 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.17 -53.35 44.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.0 -36.15 50.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -52.74 -59.15 4.84 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -67.49 -29.82 69.35 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.965 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -57.84 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.15 -42.64 68.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.728 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.78 -32.14 69.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.744 0.307 . . . . 0.0 111.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -69.6 -30.36 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 57' ' ' ILE . 33.5 pt -104.91 -8.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.55 -17.78 48.17 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.25 -28.35 47.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.1 pt-20 -98.3 -18.58 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.983 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 63' ' ' LEU . 34.1 mm -67.67 114.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.599 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -110.72 -13.19 14.22 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 m -129.73 130.31 45.28 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.697 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -27.86 63.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -51.93 -39.35 59.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.52 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.46 -51.98 17.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.552 HG23 HD21 ' B' ' 390' ' ' LEU . 83.5 mt -62.88 -36.56 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.391 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' HG12 ' A' ' 69' ' ' ILE . 4.0 t30 -64.41 -55.05 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.498 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 70' ' ' ILE . 20.3 mmtp -57.85 -44.89 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.993 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.575 ' NZ ' HD13 ' A' ' 50' ' ' LEU . 2.1 tppt? -62.06 -44.94 95.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -62.7 -41.07 98.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 65' ' ' ASN . 49.1 mm -69.0 -51.26 45.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 66' ' ' LYS . 7.7 tp -61.58 -41.07 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.87 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.75 -43.19 98.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -63.83 -41.95 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.585 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 20' ' ' ILE . 74.9 t -64.24 -41.02 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.256 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -38.9 83.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.44 -35.76 81.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.635 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.784 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 45.2 ttm105 -72.35 -47.34 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.562 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -83.97 -15.62 47.12 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -124.4 -73.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 49.5 m-85 -50.98 -65.69 0.51 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.609 0.568 . . . . 0.0 111.534 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -70.15 -45.47 66.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.871 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 55.53 36.02 26.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.81 14.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.335 0.588 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.13 122.56 33.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.894 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.742 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.5 mt -90.46 132.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.349 179.645 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.454 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 71.8 m-85 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.07 122.89 47.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.134 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.742 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -125.35 139.19 51.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.065 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.515 HG13 ' HG ' ' A' ' 28' ' ' LEU . 7.7 p -110.54 155.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 113' ' ' ASN . 3.1 p-10 -62.94 152.49 83.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' LEU . 50.7 Cg_endo -71.19 11.59 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.86 2.374 . . . . 0.0 112.675 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 111' ' ' ASN . 8.2 p30 -139.83 -156.83 0.71 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.9 t80 177.16 147.83 0.12 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.497 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 64' ' ' ILE . 18.5 tp . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.91 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.236 0.541 . . . . 0.0 110.152 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.25 -36.23 77.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.106 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.51 ' HA ' ' HG3' ' B' ' 396' ' ' LYS . 1.4 mp -60.99 -35.58 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.838 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' B' ' 394' ' ' ARG . 1.7 mmm180 -68.96 -29.43 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.429 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -36.5 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.51 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.578 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.777 0.322 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -61.37 -40.0 92.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -70.86 -40.68 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -60.3 -48.59 81.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 6.1 t -59.95 -34.77 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.647 0.26 . . . . 0.0 110.763 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 13.5 tpt180 -70.34 -39.1 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.93 -49.37 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.645 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 m -58.12 -30.65 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.72 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -63.97 -33.39 75.63 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.154 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.18 -37.83 86.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.094 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.9 mm -59.59 -52.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.329 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.14 -43.51 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.75 -50.85 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.2 t60 -62.32 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.823 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.35 -44.43 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 58.5 mtt180 -55.68 -42.33 75.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 111.09 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -72.08 -43.98 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.776 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 38' ' ' SER . 75.1 t -64.92 -46.59 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.182 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.2 pt-20 -61.34 -28.35 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 110.663 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.16 -38.87 56.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.29 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 6.8 pt-20 -109.83 -13.5 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.842 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 24.0 t70 71.89 -34.4 0.3 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.036 0.534 . . . . 0.0 112.407 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 35' ' ' GLU . 60.3 mt-10 -105.33 89.41 3.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.574 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.541 ' HA ' HG11 ' A' ' 31' ' ' VAL . 56.6 p -57.09 -46.13 82.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 107' ' ' TYR . . . 52.41 -150.08 0.34 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.732 ' H ' ' HD2' ' A' ' 107' ' ' TYR . 1.4 tp -56.0 116.65 3.11 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -170.03 32.66 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.934 178.719 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -61.12 -50.97 71.07 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 45.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.76 -40.24 94.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.434 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -49.13 66.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.15 0.5 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.794 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.8 t -72.93 -38.94 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.292 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 65.5 t30 -49.59 -58.83 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.8 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -67.74 -29.87 69.2 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.896 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 23' ' ' LEU . 23.2 t80 -61.2 -46.69 89.42 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.392 0.615 . . . . 0.0 109.778 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 17.9 mt -69.03 -42.92 75.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 24.8 mmtp -56.21 -30.46 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.532 0.52 . . . . 0.0 111.393 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.11 -52.89 5.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.01 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 57' ' ' ILE . 26.5 pt -70.72 -23.08 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 17.0 pt-20 -62.85 -13.31 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -70.38 -27.17 64.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.815 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -105.42 -9.21 17.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.034 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.836 HG23 ' HB2' ' A' ' 62' ' ' GLU . 44.8 mm -76.89 119.36 25.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.422 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -116.71 -15.3 10.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.354 0.597 . . . . 0.0 110.029 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -117.58 145.75 44.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.772 -178.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 64' ' ' ILE . 33.6 tt0 -62.22 -37.96 87.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.9 -37.55 76.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.386 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.836 ' HB2' HG23 ' A' ' 57' ' ' ILE . 24.9 mt-10 -63.24 -46.63 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.452 0.644 . . . . 0.0 109.986 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.774 HD23 HG12 ' B' ' 393' ' ' ILE . 7.4 tp -64.29 -44.44 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 96.7 mt -65.27 -44.63 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.726 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.7 -51.68 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 53' ' ' ILE . 33.5 mmtm -58.56 -43.4 89.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.995 ' HD3' HD12 ' B' ' 390' ' ' LEU . 16.9 mttp -68.78 -32.12 71.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.316 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -75.95 -36.8 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.796 0.332 . . . . 0.0 111.377 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.7 mm -73.14 -43.01 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.741 0.305 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.665 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -60.86 -40.98 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.84 -28.88 64.92 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.194 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -67.41 -48.52 67.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.41 -38.98 82.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.944 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.77 -43.7 98.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 109.935 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.35 -36.6 84.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.467 0.651 . . . . 0.0 109.371 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.828 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 10.8 ttm180 -66.06 -40.46 90.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.855 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 59.1 tp -62.51 -29.15 70.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.23 4.25 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -144.78 -70.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.865 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.828 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 62.2 m-85 -60.72 -55.33 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.813 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.617 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 74.8 m-20 -64.83 -45.84 84.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t60 61.99 19.83 11.07 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.162 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' ASP . 7.4 m -101.51 18.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 122.096 -0.377 . . . . 0.0 110.965 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 108' ' ' LEU . 1.4 tt -92.31 130.09 38.09 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.839 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 12.1 mt -96.05 132.35 40.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.245 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.176 0.512 . . . . 0.0 110.42 179.052 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.732 ' HD2' ' H ' ' A' ' 40' ' ' LEU . 77.1 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.592 0.234 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 84' ' ' LEU . 1.3 mm? -95.82 119.88 35.09 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.22 0.533 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.839 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 2.1 t -118.04 160.4 17.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.084 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.4 HG23 HD11 ' A' ' 77' ' ' LEU . 13.0 p -128.21 148.45 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.372 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -78.59 146.01 68.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.148 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.03 -22.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.78 2.32 . . . . 0.0 112.906 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -103.68 82.2 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.407 0.623 . . . . 0.0 110.522 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -80.6 140.8 35.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.191 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.995 HD12 ' HD3' ' A' ' 67' ' ' LYS . 1.4 tp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.879 0.371 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 35.9 mt-10 -62.55 -16.24 55.09 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.416 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.544 ' HD3' ' HE2' ' A' ' 51' ' ' LYS . 31.2 tpt180 -84.16 -23.98 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.318 0.58 . . . . 0.0 110.186 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.774 HG12 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -62.1 -33.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.403 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 12.1 ptp180 -62.31 -23.61 66.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -84.89 -31.93 23.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? . . . . . 0 C--O 1.234 0.274 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.175 178.283 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -55.34 -48.59 73.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -39.87 95.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -58.54 -47.57 83.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 9.3 m -62.61 -36.75 83.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 12.3 tpt180 -65.9 -37.13 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' HD3' ' A' ' 66' ' ' LYS . 1.2 mp -76.49 -49.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.426 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 24' ' ' ILE . 6.0 m -61.67 -34.06 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.712 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' SER . 37.1 t30 -63.53 -32.62 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.974 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -57.4 -44.28 84.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.661 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 9.1 tp -67.62 -33.75 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.549 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -75.95 -45.69 36.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.994 0.426 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 34.9 mt -62.68 -48.84 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.255 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 31' ' ' VAL . 29.7 t60 -69.3 -36.55 77.12 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.106 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.0 -49.18 71.24 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.868 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.8 ptm180 -59.38 -31.83 69.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.673 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -72.16 -43.66 64.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 40' ' ' LEU . 44.2 t -64.53 -46.51 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.192 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 3.3 pt-20 -63.25 -28.93 70.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -79.75 -31.98 41.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.002 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -81.54 -67.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.618 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 7.1 pt-20 -103.65 -17.46 15.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 16.4 t70 72.06 -8.1 1.2 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.978 0.418 . . . . 0.0 111.852 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.01 -39.07 79.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.256 0.551 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 7.2 m 60.95 19.53 9.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.515 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.57 104.87 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 31' ' ' VAL . 1.5 mm? -107.25 -169.06 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.499 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' A' ' 44' ' ' GLU . 73.0 mmtt -97.81 141.35 30.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -57.33 -55.68 31.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.336 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -30.34 70.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.663 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' CB ' ' HB2' ' A' ' 41' ' ' LYS . 35.9 tt0 -59.05 -50.03 75.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.744 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.546 HD13 ' HE1' ' A' ' 48' ' ' TRP . 1.6 mm? -52.35 -47.47 66.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 111.425 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.831 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 24.2 t -72.85 -42.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -49.71 -56.78 8.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.727 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.546 ' HE1' HD13 ' A' ' 45' ' ' LEU . 50.9 p-90 -69.1 -28.11 66.2 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.043 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CD1' HD13 ' A' ' 23' ' ' LEU . 26.2 t80 -62.38 -47.55 83.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 109.532 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 ' HE3' ' A' ' 67' ' ' LYS . 13.8 mt -64.41 -43.91 92.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.494 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 16.1 mmtt -59.04 -27.32 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.367 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.48 -50.88 8.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' O ' HG12 ' A' ' 57' ' ' ILE . 30.3 pt -68.38 -26.08 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.987 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 63' ' ' LEU . 5.1 mt-10 -63.19 -15.86 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -85.14 -15.25 44.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 8.2 pt-20 -114.32 -31.07 6.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.616 0.246 . . . . 0.0 111.236 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.841 HG21 ' HB2' ' A' ' 63' ' ' LEU . 24.6 mm -62.36 118.56 4.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.215 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -108.47 -13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.186 0.517 . . . . 0.0 110.585 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 1.4 m -118.76 130.47 55.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.121 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.77 -36.13 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.739 -0.209 . . . . 0.0 111.287 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.65 -43.03 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.578 0.549 . . . . 0.0 110.073 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.814 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.4 mm-40 -62.58 -55.56 26.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.689 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.841 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.1 tp -59.51 -51.46 69.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.791 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.776 ' HA ' HD11 ' B' ' 390' ' ' LEU . 65.4 mt -56.9 -39.19 63.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.17 -49.45 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.709 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HD3' HD11 ' A' ' 20' ' ' ILE . 17.6 mmtp -56.55 -44.98 81.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.915 ' HE3' HD13 ' A' ' 50' ' ' LEU . 36.3 mttp -65.97 -32.92 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.28 -44.32 59.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -63.87 -49.81 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.267 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 46' ' ' VAL . 9.2 tp -56.54 -41.91 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.527 0.203 . . . . 0.0 111.0 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.19 -44.82 75.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.12 0.486 . . . . 0.0 110.018 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.574 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.7 -43.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.53 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.0 mt -62.34 -40.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.13 0.491 . . . . 0.0 109.694 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.908 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.825 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 3.3 ttt180 -68.56 -44.5 74.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.58 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.753 HD11 HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -65.51 -32.61 74.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.97 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' HG ' ' A' ' 84' ' ' LEU . 4.1 p -86.37 -1.42 57.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -135.23 -71.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.952 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.825 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.7 m-85 -61.27 -57.56 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.775 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 62.3 m-20 -67.19 -46.99 72.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.85 0.357 . . . . 0.0 110.069 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.56 33.07 11.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.445 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.47 10.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.235 0.54 . . . . 0.0 110.316 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 77' ' ' LEU . 1.3 tm? -91.0 130.55 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.446 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.897 ' HB ' HG13 ' A' ' 109' ' ' VAL . 12.8 mt -98.04 120.4 47.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.819 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.068 179.548 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 108' ' ' LEU . 48.1 m-85 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 110.733 -0.099 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.551 HD12 HD11 ' A' ' 84' ' ' LEU . 1.6 mm? -120.05 122.43 41.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.666 0.27 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.897 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -137.62 138.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.24 157.13 36.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.419 -0.176 . . . . 0.0 110.717 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.16 137.37 21.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.743 0.306 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.55 -2.4 8.31 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.4 2.733 . . . . 0.0 113.095 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.99 -46.83 15.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 t80 53.91 -150.36 0.39 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.988 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.45 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 64' ' ' ILE . 7.6 tp . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.1 -29.22 70.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.44 . . . . 0.0 110.94 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.406 ' HD3' HH11 ' B' ' 392' ' ' ARG . 7.1 tpp180 -60.13 -29.66 68.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.499 0.666 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 67' ' ' LYS . 58.3 mt -61.77 -24.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.779 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -59.1 -36.46 75.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 0.0 110.42 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -92.48 -13.02 30.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 11.0 tttm . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.662 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.899 0.381 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -66.64 -44.39 82.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.32 -48.45 67.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.843 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 23.3 m-85 -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.762 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -66.02 -40.13 90.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.204 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -58.69 -48.76 80.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.546 ' CG2' HG21 ' A' ' 73' ' ' VAL . 1.4 mp -65.96 -46.67 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -58.6 -38.03 77.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -64.78 -39.64 93.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 109.629 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.43 -38.4 80.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.512 178.543 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.7 mm -63.11 -52.26 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.36 -36.18 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.587 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.1 mt -68.28 -50.52 53.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.6 t60 -57.8 -47.78 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD22 HG13 ' A' ' 110' ' ' VAL . 39.3 tp -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.4 ptm180 -62.37 -32.26 73.03 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.659 0.266 . . . . 0.0 110.767 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.76 -43.99 62.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.184 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 27' ' ' HIS . 38.9 t -58.4 -53.37 47.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.743 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.3 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 111.193 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.42 -24.71 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -90.81 -61.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 37' ' ' GLU . 13.4 pt-20 -106.7 -1.89 22.24 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.8 m-20 65.53 12.81 8.47 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 21.3 mt-10 -122.53 92.88 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.581 0.229 . . . . 0.0 110.615 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.14 -15.44 62.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.514 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -81.61 103.42 11.31 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.11 -163.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -95.92 142.99 27.5 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.983 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 74' ' ' ILE . 54.1 ttt180 -75.07 -44.32 48.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.546 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -60.79 -37.98 83.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 111.067 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.81 -32.25 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.682 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.8 t -71.99 -35.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.536 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -55.9 -58.07 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.68 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 27' ' ' HIS . 27.7 p-90 -67.64 -29.33 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.992 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t80 -59.4 -50.55 73.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.145 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.799 HD13 ' HE3' ' A' ' 67' ' ' LYS . 14.5 mt -62.73 -40.64 97.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.193 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -28.61 68.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.089 0.471 . . . . 0.0 111.438 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.25 -41.72 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.592 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.4 pt -73.69 -25.47 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.28 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.609 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 7.7 pt-20 -59.27 -21.84 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.698 0.285 . . . . 0.0 111.476 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -68.42 -19.72 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.707 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 -116.74 -6.35 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 62' ' ' GLU . 23.5 mm -84.64 108.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -17.21 20.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.259 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -120.8 134.79 55.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.244 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.44 72.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.471 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -56.29 -40.29 74.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.281 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.808 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.3 mm-40 -62.58 -50.37 71.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 57' ' ' ILE . 34.9 tp -61.53 -35.84 78.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.715 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.789 ' HA ' HD11 ' B' ' 390' ' ' LEU . 87.9 mt -69.95 -45.76 75.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.103 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.02 -48.02 82.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.078 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' HD13 ' A' ' 53' ' ' ILE . 3.5 tppt? -59.15 -36.38 75.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.808 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.799 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.05 -38.75 82.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.417 . . . . 0.0 110.343 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -64.43 -45.19 88.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.911 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -50.46 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.606 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -58.2 -40.45 77.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.586 0.231 . . . . 0.0 111.401 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.31 -41.0 67.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 0.0 110.061 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.59 -47.46 86.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.504 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 20' ' ' ILE . 32.0 m -64.09 -36.23 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.124 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 42' ' ' ARG . 76.8 mt -69.71 -36.24 69.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -68.26 -38.04 81.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.617 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 25.4 ttp180 -67.7 -41.01 84.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 41.1 tp -63.1 -41.77 99.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.481 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 HD13 ' A' ' 84' ' ' LEU . 7.7 p -80.33 4.69 17.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -139.09 -69.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.624 -0.43 . . . . 0.0 112.006 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.617 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 83.6 m-85 -64.64 -56.6 12.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.689 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -57.98 -50.54 73.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.62 19.18 11.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.46 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 115' ' ' LEU . 15.8 m -97.52 20.8 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.708 0.766 . . . . 0.0 110.253 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 78' ' ' THR . 1.3 pt? -90.89 153.64 20.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.86 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.899 ' HB ' HG13 ' A' ' 109' ' ' VAL . 11.3 mt -124.08 136.92 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 42.6 m-85 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.616 0.246 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 125.06 46.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.149 0.499 . . . . 0.0 110.973 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.899 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -136.76 142.9 36.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.705 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.683 HG13 HD22 ' A' ' 28' ' ' LEU . 10.9 p -115.77 146.97 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.95 142.33 95.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.358 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.13 -10.83 22.3 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.086 2.524 . . . . 0.0 112.785 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -69.92 -78.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.103 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.3 t80 65.99 142.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.621 0.724 . . . . 0.0 112.251 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.789 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.01 -29.02 70.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.189 0.519 . . . . 0.0 110.513 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -65.45 -28.17 69.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.5 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 63' ' ' LEU . 12.8 mm -68.41 -23.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.213 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 394' ' ' ARG . 55.5 mtt85 -62.88 -28.67 70.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.56 -29.21 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.543 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 -179.8 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -25.85 64.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.84 -44.09 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.884 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.08 -40.82 86.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -61.79 -40.11 94.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.912 0.387 . . . . 0.0 110.374 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.47 HG21 HG22 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -63.25 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.645 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -64.45 -35.02 79.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' SER . 27.7 t30 -62.18 -36.26 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.12 -37.49 80.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.883 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.484 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.2 mm -62.93 -53.15 50.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.871 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.41 -39.87 72.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.402 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 30.7 mt -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.609 0.243 . . . . 0.0 111.507 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -66.58 -41.05 89.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.448 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 38' ' ' SER . 2.4 tm? -60.33 -50.78 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.269 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 4.5 ptm180 -66.5 -30.06 70.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.421 . . . . 0.0 111.188 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -68.13 -48.91 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.56 -32.51 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.484 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.65 -28.73 61.93 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.574 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -89.03 -44.31 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -84.33 -64.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 0.0 111.945 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -75.6 -14.56 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.762 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.1 t0 58.1 32.75 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -143.18 104.96 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.51 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB3' HD21 ' A' ' 28' ' ' LEU . 15.6 m -74.78 3.85 7.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.104 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.87 116.48 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.349 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 pp -126.22 160.75 29.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -89.83 120.77 31.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.553 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.55 -40.5 71.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.072 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -71.23 -32.97 69.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.97 0.414 . . . . 0.0 110.898 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -76.01 -36.1 59.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD12 ' HE1' ' A' ' 48' ' ' TRP . 39.4 tp -56.21 -49.46 74.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.574 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.77 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.7 t -71.11 -32.26 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -54.31 -60.56 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.992 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.429 ' HE1' HD12 ' A' ' 45' ' ' LEU . 58.4 p-90 -67.24 -28.8 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.338 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.5 t80 -60.52 -45.5 93.58 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.77 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -71.84 -42.3 67.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.004 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -59.01 -27.28 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.904 0.383 . . . . 0.0 111.145 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 60.0 mm-40 -85.02 -48.85 8.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.693 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.8 pt -70.54 -27.44 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.941 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 7.5 pt-20 -60.12 -22.28 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -72.92 -22.18 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.58 -17.28 13.77 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.896 HG21 ' HB2' ' A' ' 63' ' ' LEU . 31.8 mm -70.37 107.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.29 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.27 -7.38 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -124.77 130.34 52.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.425 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.99 -36.28 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.99 -34.85 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.067 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.787 ' HB3' HD12 ' A' ' 57' ' ' ILE . 7.3 mm-40 -64.25 -49.3 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.501 0.667 . . . . 0.0 109.897 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.896 ' HB2' HG21 ' A' ' 57' ' ' ILE . 13.0 tp -64.67 -44.69 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.38 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.85 -44.62 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.41 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -63.99 -50.71 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.287 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -56.93 -42.32 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.627 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.732 ' HZ3' HD11 ' B' ' 393' ' ' ILE . 0.2 OUTLIER -70.54 -37.66 74.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.624 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -59.93 -41.55 92.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.045 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.47 HG22 HG21 ' A' ' 20' ' ' ILE . 36.4 mt -72.71 -50.22 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.387 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.4 tp -59.81 -39.44 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -36.74 73.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.19 -50.83 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.652 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.65 -36.99 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.977 ' HA ' HD23 ' A' ' 77' ' ' LEU . 74.8 mt -68.6 -47.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -63.7 -36.2 83.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.353 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.761 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 11.2 ttt180 -71.07 -46.19 62.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -55.75 -34.08 64.88 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.498 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.3 t -92.13 -36.86 13.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -85.21 -72.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.761 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 38.9 m-85 -65.4 -51.31 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.073 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -74.65 -33.37 62.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m170 58.84 36.63 24.79 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.069 0.938 . . . . 0.0 108.54 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.746 HG13 ' HG3' ' A' ' 112' ' ' PRO . 1.0 OUTLIER -91.04 -13.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 113.812 -1.54 . . . . 0.0 111.431 -177.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.481 HD13 HD11 ' A' ' 77' ' ' LEU . 20.2 tp -89.16 141.04 28.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.323 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.918 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.6 mp -108.26 136.37 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 84' ' ' LEU . 68.7 mt -96.25 136.53 36.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 112.476 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.918 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -145.93 142.47 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.005 178.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.63 103.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.555 ' ND2' HD11 ' A' ' 28' ' ' LEU . 18.6 m120 -143.91 70.1 16.7 Favored Pre-proline 0 CA--C 1.507 -0.69 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.417 176.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.746 ' HG3' HG13 ' A' ' 83' ' ' VAL . 23.7 Cg_endo -94.82 11.75 1.59 Allowed 'Trans proline' 0 N--CA 1.442 -1.549 0 N-CA-C 107.117 -1.916 . . . . 0.0 107.117 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 60.16 55.53 3.64 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -35.85 130.51 0.59 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 112.54 -2.118 . . . . 0.0 113.007 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.667 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.846 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.574 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 15.2 tp . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.518 0.199 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.623 ' HG3' ' HD3' ' B' ' 394' ' ' ARG . 31.7 tt0 -64.59 -24.28 67.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.065 0.46 . . . . 0.0 110.009 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.497 HH22 ' CD ' ' A' ' 54' ' ' GLU . 58.1 ttt180 -61.63 -28.97 69.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 109.637 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.732 HD11 ' HZ3' ' A' ' 67' ' ' LYS . 1.5 mp -61.22 -31.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.981 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.623 ' HD3' ' HG3' ' B' ' 391' ' ' GLU . 19.4 mtp180 -70.11 -25.41 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -90.25 -39.15 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.318 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 10.5 p90 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -60.33 -48.21 82.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.02 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.41 -34.46 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.238 0.542 . . . . 0.0 109.753 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 63.6 m-85 -62.11 -49.25 76.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.799 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 m -54.89 -43.21 73.0 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.414 0.446 . . . . 0.0 111.704 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 19.5 mmm-85 -62.21 -49.67 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.182 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 1.7 mp -66.54 -45.85 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 m -57.08 -42.49 80.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.47 -37.55 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.59 -41.21 89.75 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.24 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -63.37 -47.99 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.185 179.383 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.77 -50.86 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.326 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.98 -50.84 71.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -66.11 -35.57 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.705 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -45.95 88.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -59.78 -36.55 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.281 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.48 -55.55 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.19 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.96 -38.64 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -67.22 -31.99 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 111.341 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.43 -31.73 42.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.781 0.324 . . . . 0.0 110.977 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -88.82 -66.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 37' ' ' GLU . 14.7 pt-20 -101.54 -16.99 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.674 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 32.8 t70 64.15 32.18 12.79 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.43 0.633 . . . . 0.0 109.961 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 43.1 mt-10 -145.73 111.11 5.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.868 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -106.85 13.08 28.23 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.788 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.666 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -83.86 154.44 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.669 0.271 . . . . 0.0 111.619 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.81 86.19 0.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -175.17 29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.537 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -57.59 -62.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.793 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -79.61 -31.3 41.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.12 -40.8 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.525 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 74' ' ' ILE . 16.2 tp -54.83 -56.37 20.19 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.516 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 46' ' ' VAL . 1.1 p -68.64 -32.63 55.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -59.29 -57.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.726 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -67.54 -35.12 78.46 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.637 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 15.9 t80 -52.13 -51.4 58.15 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.174 0.511 . . . . 0.0 110.934 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.863 HD13 ' HE2' ' A' ' 67' ' ' LYS . 5.8 mt -75.67 -42.74 50.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.691 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.65 -30.96 69.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -78.6 -36.87 43.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.623 0.249 . . . . 0.0 111.168 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.5 pt -90.9 -7.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mt-10 -56.06 -18.31 9.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 111.696 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -36.89 74.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.356 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.42 -15.95 28.12 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.36 0.6 . . . . 0.0 109.502 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 62' ' ' GLU . 33.5 mm -81.91 89.31 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.409 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.9 -9.57 45.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.732 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.9 t -119.54 141.78 48.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -60.88 -37.1 81.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.9 -39.45 77.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 57' ' ' ILE . 6.0 mm-40 -63.26 -45.38 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' HE2' ' B' ' 396' ' ' LYS . 23.3 tp -66.65 -44.47 81.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.715 ' HA ' HD11 ' B' ' 390' ' ' LEU . 61.2 mt -64.29 -37.46 79.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.113 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.9 t30 -65.2 -55.1 20.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.582 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.504 ' O ' HG22 ' A' ' 70' ' ' ILE . 6.2 mmtm -61.74 -47.44 85.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.883 ' HD2' HD12 ' B' ' 390' ' ' LEU . 12.6 ttmm -62.08 -48.34 80.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.496 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' HG2' ' A' ' 71' ' ' GLU . 68.5 mtt180 -63.75 -24.94 67.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 65' ' ' ASN . 28.3 mm -78.92 -47.56 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.771 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.7 tp -70.65 -36.87 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' A' ' 68' ' ' ARG . 13.8 pt-20 -68.33 -34.31 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 110.111 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -74.11 -47.02 39.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 70' ' ' ILE . 27.2 m -61.04 -36.61 73.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.932 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 45' ' ' LEU . 70.1 mt -64.91 -44.02 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.891 0.377 . . . . 0.0 110.463 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.03 -36.17 74.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.16 0.505 . . . . 0.0 109.93 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -70.64 -35.96 73.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.786 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.021 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 62.0 tp -58.42 -43.04 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.979 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.63 4.92 26.33 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -134.7 -50.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -102.14 -41.81 6.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 1.021 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 11.0 m-20 -64.05 -49.77 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 24.7 m80 68.27 19.65 8.97 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 0.0 111.164 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 114' ' ' TYR . 51.6 t -85.73 -16.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.77 0.795 . . . . 0.0 110.143 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 108' ' ' LEU . 8.6 tt -90.84 136.4 33.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.002 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.813 ' HB ' HG13 ' A' ' 109' ' ' VAL . 5.1 mp -102.02 131.34 50.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.466 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 120.838 0.352 . . . . 0.0 110.612 179.664 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.744 0.307 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.666 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 54.6 mt -92.6 118.99 31.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 120.924 0.392 . . . . 0.0 110.646 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.813 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -121.08 146.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.724 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.56 146.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.581 0.229 . . . . 0.0 110.99 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.49 158.21 36.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.423 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.78 -2.68 8.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.088 2.525 . . . . 0.0 113.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.35 23.81 1.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.767 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.754 ' HA ' HG21 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -64.1 -52.5 58.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.02 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.585 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.3 tp . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.36 -24.88 63.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.416 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -66.34 -30.32 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 8.3 mt -66.55 -21.42 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.473 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' B' ' 394' ' ' ARG . 3.5 mmp_? -65.04 -26.78 68.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.024 0.44 . . . . 0.0 110.182 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.32 -23.74 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.785 ' HE2' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.387 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -39.84 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.143 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.42 -40.48 81.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.37 -45.84 83.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -58.93 -42.02 88.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.76 -49.34 77.89 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.034 0.445 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.99 -46.06 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.608 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 m -56.7 -41.76 77.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.58 -45.85 88.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.747 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.16 -40.41 81.31 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.282 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -62.88 -52.37 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.767 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 m -71.14 -36.36 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.608 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 20.5 mt -61.84 -51.1 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.644 0.259 . . . . 0.0 111.297 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.6 t-80 -64.35 -44.53 91.2 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' HG13 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -60.55 -46.77 88.98 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.8 ptm180 -63.76 -32.87 74.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.626 0.251 . . . . 0.0 111.141 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.52 -39.65 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 0.0 109.45 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 HD11 ' A' ' 40' ' ' LEU . 45.1 t -63.57 -51.78 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.078 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.9 pt-20 -63.15 -28.35 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.746 0.308 . . . . 0.0 111.301 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.76 -47.22 55.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.432 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -95.21 -68.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 13.1 mt-10 -67.2 -35.18 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.59 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.5 t70 76.98 -30.22 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 111.246 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.14 82.62 8.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -72.7 33.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.117 -179.093 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.38 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.906 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mt 57.99 -136.68 0.95 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.957 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HB3' ' HB2' ' A' ' 44' ' ' GLU . 8.2 tptm -141.25 134.96 30.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.491 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -54.57 -49.88 69.31 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 t -71.27 -28.5 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.604 0.24 . . . . 0.0 111.08 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 41' ' ' LYS . 19.6 tt0 -66.07 -34.74 78.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.051 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 46.9 mt -58.09 -50.16 74.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.087 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.796 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.58 -33.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.571 179.211 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -49.76 -59.2 4.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CH2' HD23 ' A' ' 23' ' ' LEU . 44.7 p-90 -70.03 -29.23 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.421 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -57.43 -47.84 80.71 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.992 HD22 ' HG2' ' A' ' 67' ' ' LYS . 1.9 mt -66.22 -40.61 90.42 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.142 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HE2' ' NH1' ' B' ' 392' ' ' ARG . 17.7 mmtt -58.18 -31.39 67.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.402 0.62 . . . . 0.0 111.655 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -85.94 -43.73 12.96 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.068 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 57' ' ' ILE . 32.2 pt -77.16 -20.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.754 0.311 . . . . 0.0 111.426 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 14.4 pt-20 -69.26 -9.17 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.164 0.506 . . . . 0.0 111.459 -178.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -81.22 -22.9 38.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.067 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.85 -29.52 10.46 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 63' ' ' LEU . 47.7 mm -59.42 111.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.254 0.55 . . . . 0.0 111.64 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -108.65 -17.14 14.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.132 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -114.16 130.32 56.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.375 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' A' ' 64' ' ' ILE . 28.7 tt0 -53.84 -38.86 65.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.366 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -58.06 -39.4 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.718 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB2' HG23 ' A' ' 57' ' ' ILE . 78.8 mm-40 -65.41 -44.21 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.527 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.79 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.0 tp -63.6 -48.17 78.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.243 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.684 ' HA ' HD11 ' B' ' 390' ' ' LEU . 51.7 mt -59.35 -40.96 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.834 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.1 t30 -60.64 -57.02 14.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.542 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 70' ' ' ILE . 38.2 mmtm -56.23 -47.26 78.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.992 ' HG2' HD22 ' A' ' 50' ' ' LEU . 76.5 mttt -65.86 -34.64 78.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -74.38 -38.27 63.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.67 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 65' ' ' ASN . 41.2 mm -68.46 -49.54 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.392 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.524 HG12 ' HB ' ' A' ' 46' ' ' VAL . 7.7 tp -58.64 -44.44 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.526 0.203 . . . . 0.0 110.866 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.14 -44.71 94.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 110.057 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.6 -44.99 85.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.903 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.1 t -63.06 -42.66 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.428 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.5 mt -60.89 -43.63 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -65.97 -37.1 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.43 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.615 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 13.2 ttm180 -70.65 -41.58 71.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.49 -33.48 76.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.786 HG22 ' HG ' ' A' ' 84' ' ' LEU . 8.4 p -86.76 4.23 41.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -60.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 74.5 m-85 -72.98 -55.67 6.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.875 0.369 . . . . 0.0 111.585 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.795 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.61 -45.56 89.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.779 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 65.25 26.21 12.24 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.378 0.608 . . . . 0.0 110.473 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 81' ' ' ASP . 26.9 m -94.97 13.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.559 0.695 . . . . 0.0 109.877 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.786 ' HG ' HG22 ' A' ' 78' ' ' THR . 1.3 tm? -90.28 126.57 35.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.797 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.855 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.0 mt -97.73 126.1 50.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.094 178.733 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.406 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 53.8 m-85 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.577 0.227 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 84' ' ' LEU . 1.4 mm? -104.74 124.3 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.158 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.855 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -137.67 139.3 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.504 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG13 ' HG ' ' A' ' 28' ' ' LEU . 3.9 p -102.5 143.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.825 0.345 . . . . 0.0 111.238 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.08 149.16 82.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.592 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.13 1.61 7.03 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.46 2.107 . . . . 0.0 111.387 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.19 90.01 3.25 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.467 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.442 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 8.7 t80 -106.59 130.73 54.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 121.139 0.495 . . . . 0.0 111.486 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.1 mp . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 98.6 mt-10 -64.17 -13.2 46.86 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 111.566 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.661 ' NH1' ' HE2' ' A' ' 51' ' ' LYS . 25.5 ttm180 -84.32 -20.78 31.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.603 0.716 . . . . 0.0 110.09 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.651 HD12 ' HG ' ' B' ' 390' ' ' LEU . 10.7 mt -69.2 -33.46 58.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.094 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 13.2 ptp180 -59.65 -23.59 63.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.574 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -83.23 -31.97 26.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.434 ' HD2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.006 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.6 -39.37 87.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -55.54 -50.98 68.59 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.328 0.585 . . . . 0.0 109.681 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -58.48 -46.3 86.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.724 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -56.17 -45.97 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.687 0.279 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -67.47 -32.96 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.388 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.14 -51.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 25' ' ' VAL . 13.7 m -59.27 -37.45 77.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.13 -36.62 75.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.77 -48.15 80.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' HG11 ' A' ' 110' ' ' VAL . 10.7 tp -70.93 -38.18 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.207 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 21' ' ' SER . 59.8 t -66.56 -47.04 84.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.421 . . . . 0.0 110.059 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.08 -40.31 90.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.123 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -61.82 -41.58 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.38 -45.38 69.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.595 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 85.1 mtt180 -58.67 -34.09 70.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.033 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -71.85 -46.68 57.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 28' ' ' LEU . 25.9 m -73.4 -33.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.765 ' HA ' ' H ' ' A' ' 37' ' ' GLU . 5.5 pt-20 -69.52 -29.31 66.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.46 -39.63 52.75 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.028 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -88.34 -69.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' HB2' ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -97.05 4.19 51.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.5 m-20 60.19 66.07 1.01 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.634 0.584 . . . . 0.0 111.921 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.765 ' H ' ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt-10 69.26 98.64 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.666 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 35' ' ' GLU . 8.4 m -108.16 16.39 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.78 -159.76 0.31 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.812 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 169.39 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' ' 44' ' ' GLU . 39.0 ttmt -108.32 138.13 45.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 74' ' ' ILE . 50.8 ttt180 -52.23 -61.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 2.5 m -73.82 -30.15 62.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.89 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 37.1 tt0 -64.64 -42.95 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.276 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -50.57 -53.53 29.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 O-C-N 123.471 0.482 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.822 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.64 -37.46 56.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.566 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 43' ' ' SER . 53.3 t30 -52.26 -53.12 47.91 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -70.24 -28.62 65.39 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.651 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CD1' HD13 ' A' ' 23' ' ' LEU . 36.0 t80 -60.6 -49.57 77.01 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.822 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 10.2 mt -59.92 -47.53 85.41 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.124 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' ' HE ' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -55.42 -28.51 54.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -82.85 -37.63 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.704 ' O ' HG12 ' A' ' 57' ' ' ILE . 29.4 pt -90.78 -21.1 6.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.909 ' HG2' HD21 ' A' ' 63' ' ' LEU . 56.7 mt-10 -60.42 -21.99 62.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -29.54 40.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.49 -35.34 12.34 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.054 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.919 HG21 ' HB2' ' A' ' 63' ' ' LEU . 41.1 mm -56.5 118.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.186 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.55 -24.6 14.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.591 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.1 m -113.59 129.57 56.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.363 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.59 -36.87 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.487 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.02 -49.08 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.444 0.465 . . . . 0.0 111.092 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 57' ' ' ILE . 65.7 mm-40 -59.83 -50.58 73.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.919 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -63.08 -52.84 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.642 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 HD21 ' B' ' 390' ' ' LEU . 46.6 mt -57.49 -38.5 63.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 123.319 0.387 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.31 -47.35 79.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.074 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -58.65 -41.39 85.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.926 ' HD2' HD12 ' B' ' 390' ' ' LEU . 43.8 mttt -68.29 -32.06 71.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 29.7 mtm180 -68.67 -41.7 78.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.0 mm -72.16 -44.32 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.595 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.1 tp -64.04 -41.62 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -32.01 68.9 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.062 -0.399 . . . . 0.0 110.311 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.83 -46.76 70.9 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.35 -39.71 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.657 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 42' ' ' ARG . 73.1 mt -66.24 -45.88 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -64.8 -32.17 73.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.475 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -75.15 -45.86 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.429 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.586 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -57.08 -46.59 82.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.273 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.629 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.9 t -82.45 4.45 24.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -138.03 -69.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.392 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 94.1 m-85 -66.04 -44.75 83.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.586 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 29.1 m-20 -79.81 -53.63 6.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.812 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t60 64.91 26.18 12.8 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.9 13.6 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.929 0.871 . . . . 0.0 110.123 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 78' ' ' THR . 2.3 pt? -94.42 163.05 13.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.585 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.824 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.0 mt -123.75 144.29 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.551 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 84' ' ' LEU . 1.8 mm? -102.77 127.8 49.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.09 0.472 . . . . 0.0 110.77 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.824 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -127.91 139.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 24' ' ' ILE . 10.6 p -105.21 142.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.906 0.384 . . . . 0.0 111.111 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.431 ' OD1' ' HD2' ' A' ' 112' ' ' PRO . 61.5 t30 -75.77 126.28 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.431 ' HD2' ' OD1' ' A' ' 111' ' ' ASN . 12.7 Cg_endo -56.79 -16.64 20.49 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.982 2.455 . . . . 0.0 112.371 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.74 61.67 6.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.99 142.59 30.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.912 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.544 0.211 . . . . 0.0 111.3 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.926 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.1 tp . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.414 0.149 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.86 -29.98 56.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.375 0.607 . . . . 0.0 110.592 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.479 ' HE ' ' HE2' ' A' ' 51' ' ' LYS . 1.9 tpp180 -63.61 -41.36 98.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.074 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 9.8 mt -66.92 -26.73 37.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.938 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.38 -37.9 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.28 -32.81 29.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.168 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 39.7 tttp . . . . . 0 C--O 1.231 0.123 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.661 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.742 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 19.1 p90 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -56.99 -39.33 74.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.461 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.3 pm0 -74.71 -32.28 62.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 30.9 m-85 -67.17 -40.23 86.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.019 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -59.49 -40.27 86.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.76 -51.02 68.74 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.84 -47.91 91.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.037 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -64.15 -37.01 85.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 109.851 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.79 -40.78 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.696 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.5 mm -60.59 -52.43 61.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.484 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.66 -35.88 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 11.4 mt -59.08 -48.54 81.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.1 t-80 -70.14 -42.9 71.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 HG13 ' A' ' 110' ' ' VAL . 59.7 tp -60.01 -49.78 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.6 ptm180 -57.66 -32.26 67.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.119 0.485 . . . . 0.0 111.172 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 3.0 mmmp? -73.15 -47.3 45.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 27' ' ' HIS . 76.1 t -59.41 -46.77 92.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.854 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 12.8 pt-20 -64.98 -27.96 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.276 . . . . 0.0 111.073 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -71.87 -46.3 58.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.603 0.24 . . . . 0.0 111.389 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.627 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 2.2 pt-20 -89.41 -69.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.627 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 38.8 mt-10 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.655 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 12.9 t70 71.69 -27.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.89 -11.39 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.159 -0.338 . . . . 0.0 111.873 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG12 ' A' ' 31' ' ' VAL . 67.1 m 61.05 17.15 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.11 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -84.0 136.89 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.679 0.276 . . . . 0.0 110.293 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.74 175.68 10.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.935 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 44' ' ' GLU . 28.8 mtmt -107.64 150.76 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.64 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' HA ' ' A' ' 75' ' ' HIS . 46.3 mtp180 -73.25 -59.17 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.183 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -28.89 67.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 37.9 tt0 -66.11 -39.16 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.564 0.221 . . . . 0.0 110.508 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.02 -52.82 59.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.779 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.2 p -72.71 -35.51 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.575 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -52.28 -56.52 14.2 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 37.0 p-90 -71.14 -28.19 64.1 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 53' ' ' ILE . 32.8 t80 -57.0 -46.03 82.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 2.8 mt -71.34 -44.11 65.72 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.834 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 20.6 mmtt -54.07 -29.7 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -84.66 -44.91 13.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.656 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.9 pt -91.35 -11.44 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.7 pt-20 -67.26 -14.67 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.753 -0.592 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -23.73 24.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.038 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 53' ' ' ILE . 4.8 pt-20 -96.58 -20.72 18.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 63' ' ' LEU . 9.2 mm -63.85 112.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.737 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -93.32 -17.73 23.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.202 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -122.63 129.7 52.17 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.687 ' O ' HG12 ' A' ' 64' ' ' ILE . 6.2 tt0 -53.36 -38.73 63.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.304 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.95 -34.17 74.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.842 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.59 -49.22 78.6 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 57' ' ' ILE . 7.9 tp -61.18 -46.15 91.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.255 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 ' O ' ' A' ' 60' ' ' GLU . 6.6 mm -57.06 -52.48 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 109.849 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -50.03 75.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 70' ' ' ILE . 17.7 mmtp -56.85 -45.63 82.3 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.693 ' HA ' HG22 ' A' ' 70' ' ' ILE . 8.3 mtpm? -65.42 -44.76 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.521 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 68' ' ' ARG . 35.6 ttt180 -54.46 -36.86 64.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.39 -50.81 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.6 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.7 tp -58.88 -40.85 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.518 ' HG2' HG21 ' A' ' 46' ' ' VAL . 24.0 mt-10 -75.45 -31.68 60.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.772 -0.58 . . . . 0.0 110.404 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -68.82 -44.67 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.005 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.3 -33.46 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.57 -35.93 74.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 4.5 t60 -71.44 -35.09 70.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 80' ' ' TYR . 16.9 ttm180 -68.21 -42.29 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.871 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -54.94 -38.16 67.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.768 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -12.76 60.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -124.38 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.411 -0.516 . . . . 0.0 112.099 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 89.5 m-85 -55.89 -54.51 43.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.298 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.3 m-20 -70.13 -54.16 14.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.058 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 64.78 24.06 12.78 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.66 0.6 . . . . 0.0 111.218 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 81' ' ' ASP . 19.8 m -91.29 11.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.139 0.495 . . . . 0.0 110.595 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 77' ' ' LEU . 5.5 tp -97.33 127.52 43.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.378 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.914 ' HB ' HG13 ' A' ' 109' ' ' VAL . 9.3 mt -94.0 127.8 45.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.319 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 -179.886 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 85.4 mt -110.2 132.93 53.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.723 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.914 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.68 138.54 53.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.489 HG13 HD22 ' A' ' 28' ' ' LEU . 8.1 p -109.01 141.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.959 0.409 . . . . 0.0 110.596 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.2 m-20 -84.22 139.12 39.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.284 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 16.5 Cg_exo -68.26 0.99 3.88 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.258 2.639 . . . . 0.0 113.169 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -85.99 20.59 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -63.22 124.75 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.542 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.555 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 17.3 tp . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 3.4 tt0 -66.73 -23.08 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -67.83 -21.59 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.451 0.643 . . . . 0.0 109.647 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HG2' ' B' ' 396' ' ' LYS . 1.6 mp -65.4 -42.36 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 2.1 ptm180 -71.15 -17.94 62.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.956 0.408 . . . . 0.0 110.439 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.24 -37.33 18.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.337 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.848 0.356 . . . . 0.0 111.422 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -54.16 -41.55 68.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.531 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.04 -41.73 70.42 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 24.4 t80 -58.49 -41.34 85.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.031 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.1 m -61.68 -36.84 82.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.05 -47.13 81.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.314 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.28 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -58.38 -44.77 89.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.67 -42.38 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.24 -42.06 85.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.865 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -61.94 -47.19 94.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.23 -49.51 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.05 -46.67 88.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.469 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -59.85 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.2 tm? -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -56.37 -44.65 80.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.07 0.462 . . . . 0.0 110.603 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 9.5 mmmm -69.76 -41.01 75.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 40' ' ' LEU . 41.1 t -63.66 -45.91 96.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.17 -28.33 65.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -85.55 -39.54 17.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -88.75 -61.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.68 -29.26 36.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 70.06 16.82 7.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -134.39 95.12 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.589 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.664 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -74.08 13.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.322 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 99.01 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.04 -173.91 3.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 0.0 111.717 -179.068 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -92.16 129.82 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.481 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.75 -40.72 98.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.936 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -66.61 -28.65 68.67 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.998 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -72.78 -34.98 67.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.96 -45.41 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.692 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 26.1 t -70.93 -35.89 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.328 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -55.59 -58.0 9.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.44 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.402 ' CH2' HD23 ' A' ' 23' ' ' LEU . 29.5 p-90 -69.77 -28.87 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.663 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 18.5 t80 -58.45 -49.04 78.75 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 13.2 mt -64.17 -41.44 97.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.718 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 22.8 mmtt -61.05 -38.7 87.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.849 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.16 -35.65 64.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.3 pt -88.79 -8.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.62 -30.0 60.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.777 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -23.59 44.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.112 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 11.6 pt-20 -91.81 -20.11 21.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 0.0 110.258 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 53' ' ' ILE . 44.3 mm -67.29 109.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -102.3 -15.5 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.901 0.857 . . . . 0.0 109.097 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 22.8 t -137.23 135.51 37.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.756 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.295 -179.6 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.85 -33.64 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 31.1 mt-10 -69.63 -49.0 57.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.132 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 tp -64.03 -45.38 89.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.675 ' HA ' HD21 ' B' ' 390' ' ' LEU . 40.3 mt -63.88 -34.16 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.746 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.411 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.7 OUTLIER -68.76 -47.83 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -57.42 -43.6 83.94 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.304 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' LEU . 14.4 mmtt -60.54 -47.5 85.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.099 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 30.7 mtp180 -61.0 -34.88 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.465 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.95 -49.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.671 HG21 HG13 ' A' ' 46' ' ' VAL . 9.9 tp -58.33 -41.63 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -74.98 -32.51 61.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.123 0.487 . . . . 0.0 109.913 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 33.2 ttmt -66.73 -47.57 71.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.209 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.72 -37.06 78.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.144 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 78' ' ' THR . 91.6 mt -66.68 -45.94 87.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.68 -39.48 94.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.662 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 19.0 ttt180 -67.36 -43.3 81.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.2 tp -57.88 -50.88 71.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.513 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.536 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 9.0 t -80.62 3.93 20.32 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -53.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.3 -0.875 . . . . 0.0 112.57 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.662 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.9 m-85 -91.16 -46.54 8.03 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.589 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 t0 -58.98 -57.12 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m80 70.57 18.35 6.49 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.08 5.8 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.931 0.872 . . . . 0.0 109.735 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -96.99 170.24 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.395 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.85 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.4 mp -122.9 131.2 73.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.291 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' LEU . 1.2 mm? -129.21 119.94 24.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.246 0.546 . . . . 0.0 111.565 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.85 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -138.54 139.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.128 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.583 HG13 ' HG ' ' A' ' 28' ' ' LEU . 12.1 p -118.24 148.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.7 m-20 -87.64 146.86 40.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.738 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 34.4 Cg_exo -59.72 -16.47 37.37 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.835 2.357 . . . . 0.0 112.927 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -85.79 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -63.7 135.13 56.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.237 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.129 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -29.01 25.28 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.15 0.5 . . . . 0.0 110.74 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -81.56 -32.97 31.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.042 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.557 HG13 HD23 ' B' ' 390' ' ' LEU . 14.7 mm -65.8 -45.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.871 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.28 -28.38 69.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.038 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -81.16 -27.79 35.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 109.666 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 32.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.962 0.41 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -49.25 78.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.785 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.63 -37.97 70.82 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 93.2 m-85 -60.33 -35.8 76.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.41 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -67.1 -27.68 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -79.04 -46.35 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.283 0.563 . . . . 0.0 109.924 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -46.05 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.674 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.2 p -58.06 -39.55 78.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 110.341 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 25' ' ' VAL . 6.4 t-20 -66.0 -42.29 89.94 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.632 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.29 -39.5 83.19 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.357 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -66.68 -52.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 22' ' ' ASN . 10.9 p -67.95 -39.4 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.613 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 23.7 mt -64.64 -51.77 60.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 42.3 t-80 -59.76 -48.37 81.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.49 -42.83 91.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.652 -179.132 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 ptm180 -61.35 -35.75 78.29 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.352 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 33.4 mmtp -70.7 -40.94 72.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 0.0 109.666 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' HIS . 59.2 t -62.84 -50.99 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -65.76 -28.66 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 111.473 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -72.47 -33.15 66.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.72 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.31 -60.75 1.49 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 31.3 mt-10 -91.24 -20.51 21.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 29.7 t70 74.24 -58.29 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.354 0.662 . . . . 0.0 110.422 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -88.01 -122.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.856 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m 54.36 57.63 5.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.471 0.482 . . . . 0.0 111.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . . . -51.49 -42.1 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.083 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.783 ' HG ' ' H ' ' A' ' 41' ' ' LYS . 13.9 tp 70.11 -164.74 0.16 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 123.656 0.597 . . . . 0.0 110.386 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.783 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 28.9 mtpp -118.7 151.25 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 42' ' ' ARG . 18.0 mtm180 -61.1 -44.88 96.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -62.33 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.47 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.9 -37.81 72.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.012 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.55 -48.54 81.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.777 0.322 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.93 -30.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 0.0 110.083 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 43' ' ' SER . 56.3 t30 -52.91 -58.32 7.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.858 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 42.5 p-90 -68.89 -33.12 73.25 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 16.8 t80 -55.19 -45.7 75.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.403 0.621 . . . . 0.0 110.023 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.794 HD13 ' HE3' ' A' ' 67' ' ' LYS . 10.0 mt -73.43 -50.68 20.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.546 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -54.56 -25.15 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 37.2 mm-40 -81.04 -41.28 22.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 49' ' ' TYR . 42.7 pt -102.21 -3.34 9.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.783 ' HA ' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -74.74 -26.52 59.85 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.465 -178.718 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -20.48 65.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.35 3.87 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.584 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.783 HG12 ' HA ' ' A' ' 54' ' ' GLU . 21.4 mm -67.89 112.21 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.817 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.17 -18.68 26.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 7.7 t -137.59 129.17 28.33 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.35 -36.55 43.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.942 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.01 -34.59 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.69 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 9.5 mm-40 -67.72 -42.5 81.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.18 0.514 . . . . 0.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.685 HD13 HG13 ' A' ' 57' ' ' ILE . 17.5 tp -67.22 -37.24 83.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.376 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.751 HG12 HD11 ' B' ' 390' ' ' LEU . 39.4 mt -69.72 -38.1 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.368 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.7 t30 -60.52 -50.57 73.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.37 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.541 ' O ' HG22 ' A' ' 70' ' ' ILE . 56.5 mmtt -54.87 -46.25 74.71 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.794 ' HE3' HD13 ' A' ' 50' ' ' LEU . 14.0 mttp -63.12 -42.12 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 40.8 ttp-105 -62.35 -29.53 70.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.582 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 65' ' ' ASN . 43.2 mm -86.55 -51.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 66' ' ' LYS . 8.9 tp -63.51 -41.32 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.743 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.1 -34.17 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 22.0 ttmm -63.52 -51.63 64.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.62 -35.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.36 -37.97 78.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.427 . . . . 0.0 109.955 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -70.33 -32.88 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.34 0.59 . . . . 0.0 109.776 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.823 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 9.3 ttt180 -74.63 -43.01 57.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.028 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 17.4 tp -56.91 -39.2 73.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.048 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.458 ' HA ' HD22 ' A' ' 84' ' ' LEU . 6.7 p -78.99 -25.63 43.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.41 -70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.823 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.1 m-85 -56.97 -47.0 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 5.1 m-20 -81.08 -61.14 2.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 63.37 33.94 13.44 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.636 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.75 3.56 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.55 . . . . 0.0 110.556 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.8 pt? -91.39 151.55 20.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.42 0.629 . . . . 0.0 111.707 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.79 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.7 mp -100.35 146.89 8.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 108' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.325 -0.483 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.546 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.491 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 55.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.658 0.266 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 86' ' ' GLU . 2.1 mm? -98.65 123.29 42.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.844 -178.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.79 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -128.61 138.82 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.713 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.44 148.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.727 0.298 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -83.53 142.32 42.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.521 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.55 -0.49 5.23 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.878 2.386 . . . . 0.0 111.849 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -82.42 -4.55 57.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.832 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 121.87 11.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.715 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.13 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 64' ' ' ILE . 11.1 tp . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.591 0.234 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -61.94 -26.78 68.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.093 178.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' B' ' 396' ' ' LYS . 1.7 mp -62.4 -30.7 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.556 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.84 -24.53 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.184 0.516 . . . . 0.0 110.342 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -98.04 -16.51 19.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.451 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.015 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.724 0.297 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -49.15 78.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.62 -42.3 78.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.038 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -59.4 -42.4 91.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.037 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t -60.57 -43.69 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -61.51 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 HD12 ' A' ' 70' ' ' ILE . 1.7 mp -65.41 -46.76 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.053 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.7 t -58.14 -37.45 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.025 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -61.32 -42.6 98.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.587 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -59.77 -38.73 82.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.475 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' HE2' ' A' ' 114' ' ' TYR . 7.3 mm -66.98 -52.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.477 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.38 -36.11 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.748 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 8.2 mt -67.47 -51.84 46.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.641 0.258 . . . . 0.0 111.444 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -68.36 -39.4 81.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.056 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.28 -45.98 82.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.914 -179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 14.3 ptm180 -63.1 -30.47 71.62 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 110.243 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 17.3 tppt? -73.08 -42.18 63.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 40' ' ' LEU . 14.4 t -59.97 -48.97 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.872 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 10.4 pt-20 -66.7 -28.14 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.749 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -73.67 -34.16 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.462 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 16.5 mt-10 -87.21 -55.63 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.549 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.43 -80.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 176.51 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.535 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -109.8 -52.1 2.81 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m 67.76 -43.02 0.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.316 -1.311 . . . . 0.0 113.198 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 61.67 86.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.501 0.667 . . . . 0.0 110.354 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.87 167.82 11.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.492 -178.446 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -82.01 130.52 35.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.914 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -36.14 78.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.468 0.175 . . . . 0.0 111.334 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -33.69 75.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.668 0.271 . . . . 0.0 110.489 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' HE1' ' A' ' 48' ' ' TRP . 88.4 mt -57.16 -50.92 71.33 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.068 0.461 . . . . 0.0 109.897 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 39.8 t -64.19 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.197 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -56.71 -60.31 3.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.157 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 36.3 p-90 -66.62 -28.89 68.85 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.045 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.9 t80 -59.39 -50.04 75.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 14.7 mt -67.56 -38.82 84.68 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.653 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 3.1 mptp? -59.7 -25.59 64.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.783 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -83.19 -41.21 18.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.956 0.408 . . . . 0.0 111.524 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' ILE . 8.0 pt -89.57 -16.6 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.653 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 10.5 pt-20 -61.21 -21.68 64.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -26.08 61.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.895 0.379 . . . . 0.0 110.349 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 -21.48 15.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.2 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.9 mm -74.21 108.37 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -110.21 -10.52 14.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.412 0.625 . . . . 0.0 109.35 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -118.74 134.8 54.88 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.243 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 64' ' ' ILE . 3.1 tt0 -58.64 -37.55 76.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.017 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -52.6 -46.4 66.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.661 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB2' HG23 ' A' ' 57' ' ' ILE . 68.1 mm-40 -60.05 -46.61 88.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.01 0.433 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.74 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.2 tp -66.13 -42.18 89.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 60' ' ' GLU . 83.0 mt -62.8 -42.41 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 109.981 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.4 t30 -57.84 -48.78 78.78 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.024 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.564 ' HE3' HD13 ' A' ' 53' ' ' ILE . 7.7 tppt? -63.59 -49.7 72.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' B' ' 393' ' ' ILE . 13.1 tptp -54.85 -49.17 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.327 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 14.8 ptt180 -65.79 -30.03 70.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 65' ' ' ASN . 38.8 mm -79.52 -51.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.427 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.492 HD12 HG23 ' A' ' 20' ' ' ILE . 7.3 tp -58.18 -42.91 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.59 0.233 . . . . 0.0 110.936 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.43 -44.16 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 37.0 ttpt -59.91 -43.64 94.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 69' ' ' ILE . 79.7 t -60.78 -47.74 91.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.695 0.284 . . . . 0.0 110.255 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.21 -43.68 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.3 -41.9 98.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.703 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.68 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 33.5 ttm180 -62.76 -41.88 99.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.52 0.676 . . . . 0.0 110.205 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -71.9 -24.76 61.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.081 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -93.98 4.47 53.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -139.82 -55.96 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.68 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 42.6 m-85 -71.73 -54.65 9.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.55 -56.88 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 111.86 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 25.2 t-80 67.77 50.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.076 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.767 HG22 HD21 ' A' ' 77' ' ' LEU . 2.7 m -91.63 -2.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -87.78 140.81 29.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.996 178.576 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.834 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.1 mt -93.32 131.86 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.797 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 36.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.637 HD22 HD21 ' A' ' 84' ' ' LEU . 50.2 mt -103.03 143.13 32.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 111.896 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.834 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -147.91 138.32 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.203 178.604 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HB ' HD12 ' A' ' 84' ' ' LEU . 4.6 p -119.69 163.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.709 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' HB2' ' HD2' ' A' ' 112' ' ' PRO . 53.8 p30 -102.47 163.05 18.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.028 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 111' ' ' ASN . 73.5 Cg_endo -79.3 0.87 9.66 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.694 2.263 . . . . 0.0 111.799 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -74.01 -66.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.005 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER 55.9 -159.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.591 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.957 ' HB3' ' HB ' ' B' ' 393' ' ' ILE . 34.9 mt . . . . . 0 N--CA 1.442 -0.844 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 44.98 26.77 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.312 1.007 . . . . 0.0 111.297 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 392' ' ' ARG . . . . . 0.452 HH12 ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -164.54 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.678 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.957 ' HB ' ' HB3' ' B' ' 390' ' ' LEU . 3.4 mp -65.52 -22.2 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.228 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -63.32 -43.73 96.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.443 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.03 -27.9 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.789 ' HD2' HG23 ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.413 0.149 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -26.28 67.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.346 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -56.68 -52.22 65.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.034 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -58.26 -44.87 88.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.866 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -38.72 92.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.217 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -64.91 -47.72 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.07 -44.54 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.34 0.59 . . . . 0.0 109.812 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.1 m -60.5 -38.43 84.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.083 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.06 -33.14 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.12 -37.82 84.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.516 178.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.35 -44.78 97.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.812 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.52 -44.2 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 123.337 0.398 . . . . 0.0 111.446 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.85 -46.73 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 70.2 t60 -62.97 -36.72 84.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 112' ' ' PRO . 1.2 tm? -64.2 -41.16 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.95 -41.74 88.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.244 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -70.33 -33.91 72.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' HIS . 45.5 t -64.95 -42.21 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.0 pt-20 -78.7 -29.12 45.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -77.25 -42.38 37.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -94.52 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.59 -20.1 65.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 35.2 t70 68.41 20.16 8.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.772 0.796 . . . . 0.0 110.153 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -116.86 -141.2 0.37 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.46 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 109' ' ' VAL . 1.5 p -179.57 -26.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.029 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -87.06 162.78 17.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.3 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt 69.17 92.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.368 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 22.1 ptmt -165.68 21.12 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.507 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 42' ' ' ARG . 7.1 ttm-85 -73.94 -62.41 1.51 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.75 -36.61 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.765 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 74' ' ' ILE . 15.3 tp -52.15 -57.93 8.13 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG12 HD11 ' A' ' 50' ' ' LEU . 2.0 t -68.07 -37.53 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 110.212 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.56 -58.22 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.245 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 37.6 p-90 -76.18 -29.06 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.321 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' ILE . 24.0 t80 -59.3 -52.79 64.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.894 0.378 . . . . 0.0 110.615 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.543 HD11 HG12 ' A' ' 46' ' ' VAL . 14.9 mt -62.57 -39.13 92.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.054 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.726 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -70.65 -27.09 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.732 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -83.49 -37.16 23.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.813 -179.104 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.662 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 29.8 pt -90.78 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 7.0 pt-20 -60.87 -23.36 65.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.32 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -32.74 72.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.384 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 7.5 pt-20 -88.17 -16.09 34.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.768 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.0 mm -73.67 91.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.058 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -84.27 -14.96 48.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 m -139.03 143.52 38.45 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.374 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.653 ' HG3' HG21 ' B' ' 393' ' ' ILE . 2.6 tt0 -51.77 -44.63 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.526 0.516 . . . . 0.0 110.624 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp0 -53.99 -38.97 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.9 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.9 -43.23 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.237 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.768 ' HB2' HG21 ' A' ' 57' ' ' ILE . 17.5 tp -69.95 -39.69 75.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.822 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.875 ' HA ' HD11 ' B' ' 390' ' ' LEU . 18.7 mm -53.29 -52.96 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.548 0.689 . . . . 0.0 109.175 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.56 -52.04 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.836 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' O ' HG22 ' A' ' 70' ' ' ILE . 25.9 mmtm -57.39 -47.48 81.58 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.156 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' NZ ' HD13 ' A' ' 50' ' ' LEU . 1.1 tppt? -65.64 -38.3 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.59 -46.65 87.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -68.08 -52.74 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.782 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' LYS . 9.3 tp -56.26 -42.27 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.467 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.56 -44.81 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.762 0.315 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -64.95 -39.71 93.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.338 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.47 -44.06 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 45' ' ' LEU . 97.2 mt -63.52 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.479 . . . . 0.0 110.044 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.37 -41.62 98.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.446 0.641 . . . . 0.0 109.686 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 35.3 ttt180 -67.43 -42.9 82.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.998 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 8.5 tt -57.37 -39.32 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.625 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -36.56 30.48 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -98.17 -67.91 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 98.7 m-85 -66.38 -53.4 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 84.2 m-20 -68.83 -48.11 64.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.102 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.35 33.36 22.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.304 0.573 . . . . 0.0 110.05 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HG ' ' A' ' 77' ' ' LEU . 7.0 p -95.81 7.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.038 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 108' ' ' LEU . 13.9 tp -90.47 130.1 36.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.276 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.847 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.2 mt -96.85 139.42 19.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.772 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.1 mm? -103.17 126.51 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.845 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.847 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -136.05 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.737 0.304 . . . . 0.0 111.155 -178.355 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.8 149.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.17 138.02 97.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.681 0.276 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HB3' HD12 ' A' ' 28' ' ' LEU . 47.6 Cg_endo -68.67 -8.46 23.34 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.279 2.652 . . . . 0.0 113.298 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -89.87 -69.06 0.74 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.573 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 28.5 t80 69.99 151.95 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.947 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.589 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 120.946 0.403 . . . . 0.0 111.181 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.875 HD11 ' HA ' ' A' ' 64' ' ' ILE . 9.2 tp . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.46 0.171 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.09 -27.61 69.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 109.509 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -61.68 -31.9 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.869 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 63' ' ' LEU . 1.7 mp -56.17 -36.97 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.614 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' B' ' 394' ' ' ARG . 17.5 mmm180 -56.88 -33.21 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.623 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.83 -11.36 19.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.746 0.784 . . . . 0.0 109.849 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.654 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 5.4 tmtm? . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.327 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.75 0.309 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -62.33 -46.5 88.43 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.983 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.56 -36.9 73.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.742 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.6 -40.46 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 21.6 t -65.93 -38.26 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.748 178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -65.06 -42.46 94.18 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -66.69 -49.83 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 110.138 179.508 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 24' ' ' ILE . 7.6 m -64.12 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -63.35 -32.51 73.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD22 HD11 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -60.56 -43.44 97.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.891 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 21' ' ' SER . 7.8 tp -64.91 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 29.9 m -77.52 -37.94 25.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.8 mt -68.6 -46.89 68.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.3 t-80 -65.15 -34.84 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 2.0 tm? -62.12 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 68.6 mtp180 -58.97 -38.48 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.587 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.26 -38.78 68.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.354 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 27' ' ' HIS . 55.4 t -65.49 -43.47 94.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.2 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 10.2 pt-20 -66.61 -27.9 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.392 . . . . 0.0 110.454 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -78.78 -42.62 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -88.12 -68.26 0.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.978 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 15.7 mm-40 -65.64 -37.35 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 66.51 18.08 10.75 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.605 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 10.6 pt-20 -123.61 -3.63 8.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m 68.06 -34.95 0.26 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.91 0.884 . . . . 0.0 113.155 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -54.18 134.62 44.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.117 0.484 . . . . 0.0 112.17 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -136.2 176.69 8.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.811 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HB2' ' HB3' ' A' ' 44' ' ' GLU . 42.5 mttp -94.41 130.47 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' HB2' HD12 ' A' ' 108' ' ' LEU . 57.4 ttt180 -59.47 -61.73 2.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -64.77 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.71 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . 36.2 tt0 -61.55 -36.08 79.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.904 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.724 HD11 HD13 ' A' ' 40' ' ' LEU . 50.1 mt -53.19 -57.49 10.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.922 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.738 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 p -72.67 -30.91 35.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 19.3 t30 -50.31 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.155 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -70.28 -29.06 65.73 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 53' ' ' ILE . 39.4 t80 -56.12 -46.57 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.325 0.583 . . . . 0.0 109.696 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.86 HD13 ' HE3' ' A' ' 67' ' ' LYS . 12.7 mt -69.54 -42.98 73.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 9.9 mmtp -59.24 -29.82 67.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.441 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.57 -44.67 13.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.687 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.701 ' O ' HG12 ' A' ' 57' ' ' ILE . 43.8 pt -81.11 -21.97 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 5.1 pt-20 -59.74 -25.63 65.01 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -76.72 -21.69 54.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.491 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -103.54 -24.0 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.727 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.701 HG12 ' O ' ' A' ' 53' ' ' ILE . 42.6 mm -64.65 118.44 6.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.13 0.49 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -100.28 -25.38 14.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.071 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -104.3 130.02 52.13 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.65 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.43 -34.94 73.11 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.07 -44.18 82.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.169 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.5 mm-40 -62.05 -48.04 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.052 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 57' ' ' ILE . 14.7 tp -61.56 -35.33 77.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.214 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.71 HG12 HD11 ' B' ' 390' ' ' LEU . 95.6 mt -75.5 -45.04 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.856 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.17 -51.65 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.509 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -58.85 -41.34 86.73 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.86 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -64.35 -43.06 95.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.335 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -61.82 -47.55 84.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 20' ' ' ILE . 23.8 mt -63.04 -53.32 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.99 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.973 HD11 HD22 ' A' ' 23' ' ' LEU . 9.9 tp -55.49 -44.32 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.041 -0.263 . . . . 0.0 111.356 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.76 -48.9 70.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 0.0 110.489 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -57.58 -41.17 80.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.981 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.17 -49.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 77' ' ' LEU . 89.1 mt -60.26 -44.36 95.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.447 0.641 . . . . 0.0 110.044 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 6.1 t60 -63.08 -40.41 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 21.3 ttp-105 -75.92 -31.12 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.332 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.788 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -57.46 -36.88 72.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.715 ' HB ' HD13 ' A' ' 84' ' ' LEU . 5.2 t -93.64 -14.42 26.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 111.242 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 2.7 t60 -95.9 -75.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -82.76 -42.18 18.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.788 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.831 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 61.46 32.32 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' A' ' 81' ' ' ASP . 18.1 m -105.87 10.88 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.068 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 108' ' ' LEU . 5.3 tt -98.85 140.27 33.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.656 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.719 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 3.2 mp -115.41 117.07 54.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.002 0.43 . . . . 0.0 110.1 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.557 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 95.6 m-85 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 84' ' ' LEU . 45.9 mt -94.7 135.35 36.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.604 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.719 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 8.2 t -123.29 151.2 27.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.63 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.27 143.86 37.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-80 -66.46 145.03 98.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 8.4 Cg_exo -71.58 -3.54 13.27 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.108 2.539 . . . . 0.0 113.253 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -97.9 -84.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER 62.16 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.497 0.665 . . . . 0.0 110.982 -179.372 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.561 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.71 HD11 HG12 ' A' ' 64' ' ' ILE . 5.3 tp . . . . . 0 N--CA 1.462 0.162 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.89 -25.2 64.9 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -72.46 -20.77 61.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.269 0.557 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.6 mp -63.41 -25.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.357 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -59.61 -46.56 88.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.051 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.05 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.21 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.578 179.216 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.777 0.322 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -66.11 -35.06 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.12 0.486 . . . . 0.0 110.189 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.03 -49.6 27.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.336 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.44 -39.03 75.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.899 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -62.12 -47.61 83.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 66' ' ' LYS . 1.1 mp -74.43 -50.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.099 0.476 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -61.17 -36.18 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -58.98 -35.97 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -57.95 -44.25 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.513 179.564 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.427 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 mm -60.51 -49.69 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.47 -51.28 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.886 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.07 -41.66 99.48 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 t-80 -73.91 -39.44 63.84 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.465 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.6 tm? -61.76 -45.83 92.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.4 ptm180 -63.52 -29.74 70.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.176 0.512 . . . . 0.0 110.209 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.87 -41.92 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.376 0.607 . . . . 0.0 109.632 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 40' ' ' LEU . 49.5 t -65.88 -44.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.53 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 pt-20 -64.71 -28.65 69.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.977 0.418 . . . . 0.0 110.264 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -70.06 -39.19 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -102.09 -68.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.14 -40.49 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.441 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.23 -6.66 1.49 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.379 0.671 . . . . 0.0 111.944 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.04 -22.04 24.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 0.0 111.349 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' HD21 ' A' ' 28' ' ' LEU . 7.3 m 58.92 20.53 8.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.3 138.88 31.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 31' ' ' VAL . 41.3 mt -144.88 164.04 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.148 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -101.68 139.07 37.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.963 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -54.02 -63.13 1.25 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 1.3 m -64.66 -28.59 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.11 -40.44 64.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 23' ' ' LEU . 3.1 mt -54.49 -52.36 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.157 0.503 . . . . 0.0 110.853 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.717 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -72.52 -33.16 44.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.781 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' SER . 50.5 t30 -50.31 -59.54 3.87 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.33 -29.43 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.51 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 36.2 t80 -53.91 -52.59 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.377 0.608 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.935 HD22 ' HZ2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -68.64 -45.73 71.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 -179.045 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.43 -27.85 62.77 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -83.65 -45.01 13.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.9 pt -89.02 -11.08 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.0 pt-20 -65.41 -25.05 67.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.53 -24.45 60.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.516 0.198 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -101.83 10.09 40.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.457 0.646 . . . . 0.0 110.082 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.4 mm -82.4 108.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.843 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -21.03 37.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.183 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.98 129.33 31.94 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.582 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 16.9 pm0 -53.08 -39.83 63.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.575 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.582 ' N ' ' HG2' ' A' ' 60' ' ' GLU . 27.5 mt-10 -53.17 -35.24 59.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.146 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.8 mm-40 -63.24 -41.92 99.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.6 tp -74.01 -36.63 64.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.107 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.773 HG23 HD21 ' B' ' 390' ' ' LEU . 9.9 mt -62.92 -49.59 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 t30 -61.07 -50.67 72.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.28 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -55.99 -40.47 73.36 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.935 ' HZ2' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.51 -49.19 72.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.362 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 17.8 tpp180 -62.54 -40.74 97.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.595 HG22 HG21 ' A' ' 20' ' ' ILE . 42.9 mt -65.37 -53.24 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.31 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.702 HD11 HD22 ' A' ' 23' ' ' LEU . 9.6 tp -60.35 -37.1 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.557 0.218 . . . . 0.0 111.204 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.15 -47.49 64.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 109.774 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -60.45 -46.69 89.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.612 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 69' ' ' ILE . 33.9 m -59.14 -36.56 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.523 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.44 -40.98 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -65.31 -39.73 92.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.293 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.643 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 57.0 ttp180 -69.79 -40.95 75.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD13 ' HE1' ' A' ' 114' ' ' TYR . 8.6 tp -63.24 -42.73 99.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.623 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.2 p -84.24 4.06 32.54 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -134.47 -60.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.144 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.643 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.4 m-85 -75.28 -54.72 6.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.712 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 12.8 m-20 -63.08 -50.29 71.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 m170 65.69 17.78 10.99 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.795 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.75 19.36 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.259 1.028 . . . . 0.0 109.536 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -94.27 124.98 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.28 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.006 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.1 mt -87.51 133.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.522 . . . . 0.0 111.049 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.621 ' HB3' HD11 ' A' ' 84' ' ' LEU . 60.2 mt -111.62 130.79 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 1.006 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -134.67 138.62 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.052 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.404 ' HA ' HD22 ' A' ' 84' ' ' LEU . 8.1 p -101.71 145.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 61.6 t30 -64.17 130.19 94.43 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 31.7 Cg_exo -59.49 -11.55 14.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.123 2.549 . . . . 0.0 112.863 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -83.9 -65.7 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.724 ' HE1' HD13 ' A' ' 77' ' ' LEU . 6.2 t80 65.59 172.75 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.6 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.773 HD21 HG23 ' A' ' 64' ' ' ILE . 28.8 tp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.857 0.361 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.804 ' HG2' ' HE ' ' B' ' 394' ' ' ARG . 3.4 tt0 -70.75 -10.98 60.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.617 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -28.51 34.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.524 0.678 . . . . 0.0 109.903 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.648 HG21 ' CG1' ' A' ' 64' ' ' ILE . 1.7 mp -58.69 -36.21 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.73 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.804 ' HE ' ' HG2' ' B' ' 391' ' ' GLU . 23.2 ptt85 -59.49 -23.29 62.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 111.321 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -100.97 -17.22 16.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.555 0.693 . . . . 0.0 109.713 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.462 ' HD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.993 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 5.1 t80 . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -48.41 73.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.134 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.6 65.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.4 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 53.0 m-85 -59.67 -45.18 92.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 40.5 m -61.23 -47.92 83.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -63.36 -36.24 83.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.045 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 1.4 mp -77.83 -51.83 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -60.08 -31.85 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' SER . 65.3 t30 -62.33 -35.05 77.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -59.14 -41.23 87.77 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 24' ' ' ILE . 3.5 mm -62.73 -47.56 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.46 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.574 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 83.4 mt -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.712 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -63.13 -45.8 90.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.602 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -63.08 -49.69 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.5 0.19 . . . . 0.0 111.038 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -61.43 -31.36 71.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.138 -179.314 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -73.19 -54.77 7.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.02 -36.15 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 pt-20 -70.12 -29.03 65.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.67 -35.05 30.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.69 -62.98 1.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -106.03 -78.79 0.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.184 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 21.0 t70 -178.96 -54.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.384 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.11 -42.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m 71.12 -48.29 0.67 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.9 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 54.92 89.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.345 0.658 . . . . 0.0 112.147 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HB3' ' H ' ' A' ' 41' ' ' LYS . 2.2 mm? -100.63 -151.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' H ' ' HB3' ' A' ' 40' ' ' LEU . 16.6 mttm -125.81 163.33 23.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.9 ptm180 -60.23 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.021 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -30.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.13 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.32 -37.83 71.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -62.44 -42.05 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 178.744 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.695 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 19.9 t -73.22 -34.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.135 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -50.13 -59.53 3.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.139 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.721 ' HE1' HD13 ' A' ' 45' ' ' LEU . 48.5 p-90 -68.74 -29.43 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.029 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 19.2 t80 -60.29 -51.55 69.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.196 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -63.02 -37.06 85.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.962 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -29.11 69.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.097 0.475 . . . . 0.0 110.93 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 32.2 mm-40 -84.54 -36.04 22.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.458 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 57' ' ' ILE . 20.3 pt -87.9 -13.48 10.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 10.1 pt-20 -60.09 -24.07 64.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.855 0.359 . . . . 0.0 111.364 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -24.59 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.28 -17.75 20.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.161 0.505 . . . . 0.0 110.044 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 63' ' ' LEU . 23.9 mm -86.05 98.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.767 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.9 -12.28 25.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.13 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.07 128.88 48.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.739 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.67 -35.71 66.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -54.49 -36.58 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.521 0.2 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.599 ' HB3' HD12 ' A' ' 57' ' ' ILE . 44.8 mm-40 -66.55 -46.77 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.184 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.987 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.0 tp -65.92 -49.66 67.22 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.705 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.776 HG12 HD21 ' B' ' 390' ' ' LEU . 22.0 mt -55.58 -36.29 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.129 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.5 t30 -71.29 -46.75 60.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.101 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -58.08 -44.19 87.45 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.588 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.787 ' HD2' HD12 ' B' ' 390' ' ' LEU . 65.6 mttt -65.72 -34.51 78.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.186 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -66.93 -42.98 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.893 178.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 65' ' ' ASN . 37.3 mm -70.38 -48.16 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 46' ' ' VAL . 11.0 tp -58.04 -39.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.273 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.59 -36.21 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.405 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -58.93 -50.56 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.33 -40.81 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.034 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.29 -41.67 91.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.92 -43.83 94.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.17 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.677 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 12.2 ttm180 -68.13 -38.76 82.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.81 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' HG ' HG12 ' A' ' 83' ' ' VAL . 6.7 tt -60.94 -44.44 97.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.078 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.927 ' HA ' HD22 ' A' ' 84' ' ' LEU . 17.4 p -85.26 3.99 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -132.96 -68.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.21 -0.596 . . . . 0.0 112.144 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.677 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.0 m-85 -72.85 -66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.31 -44.4 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 62.49 33.52 16.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.404 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 111' ' ' ASN . 7.1 p -90.45 13.86 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 122.2 1.0 . . . . 0.0 109.795 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.927 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.4 pt? -91.24 147.0 23.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.751 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.925 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.7 mt -118.36 129.36 74.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.492 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.075 179.246 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.522 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 39.2 m-85 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.687 0.28 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 84' ' ' LEU . 16.2 tp -116.56 129.04 55.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.059 0.457 . . . . 0.0 110.186 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.925 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -143.14 143.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.14 139.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.877 0.37 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 83' ' ' VAL . 26.0 t30 -67.38 125.64 91.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.861 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.55 -18.3 14.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.066 2.511 . . . . 0.0 112.307 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.43 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 86.6 m-20 -89.42 48.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.392 0.615 . . . . 0.0 109.378 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -73.15 150.86 41.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.372 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.787 HD12 ' HD2' ' A' ' 67' ' ' LYS . 1.4 tp . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 13.3 tt0 -58.08 -37.6 74.79 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.006 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -62.4 -23.08 66.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.326 0.584 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.753 HD12 ' HG ' ' B' ' 390' ' ' LEU . 11.6 mt -71.27 -25.84 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.607 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.807 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 4.2 ptp180 -63.29 -24.77 68.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.585 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.76 17.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.18 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 41.3 tttm . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.337 179.209 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.682 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 33.4 p90 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 11.0 m -64.55 -44.28 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -61.88 -48.5 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.682 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 18.8 m-85 -57.05 -42.23 80.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.125 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 m -62.64 -43.16 99.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 15' ' ' SER . 38.9 mmt180 -63.29 -36.79 84.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.861 0.362 . . . . 0.0 111.265 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 HD12 ' A' ' 70' ' ' ILE . 1.6 mp -77.41 -47.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.68 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -36.43 75.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.36 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -60.46 -33.58 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.601 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 24' ' ' ILE . 5.0 mm -60.37 -52.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.14 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.543 ' HB ' ' NH2' ' A' ' 29' ' ' ARG . 12.4 m -69.09 -43.25 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.278 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.84 -47.22 83.28 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.037 0.446 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -70.59 -44.6 66.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.895 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.03 -50.69 72.56 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH2' ' HB ' ' A' ' 25' ' ' VAL . 7.6 ptp180 -61.38 -35.03 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -40.08 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.301 0.572 . . . . 0.0 110.369 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.98 -51.46 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.388 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.46 -27.8 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.77 -43.03 76.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.321 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.89 -66.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.24 -37.02 85.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t0 64.3 30.59 13.35 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.692 0.758 . . . . 0.0 110.027 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -154.05 106.09 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.749 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.823 ' HB3' HG23 ' A' ' 109' ' ' VAL . 7.5 t -69.11 -10.6 58.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.373 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -72.25 88.61 1.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -138.6 161.55 36.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.286 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 43.1 mttm -69.36 131.88 45.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 110.495 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -77.15 -19.25 57.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.777 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 m -60.54 -42.45 96.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 12.6 pt-20 -71.69 -29.51 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 48' ' ' TRP . 58.0 tp -54.62 -48.63 71.99 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 121.067 0.461 . . . . 0.0 110.037 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 34.3 t -72.51 -33.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' A' ' 51' ' ' LYS . 32.4 t30 -55.61 -58.83 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.687 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.655 ' HE1' HD12 ' A' ' 45' ' ' LEU . 44.0 p-90 -66.34 -29.58 69.8 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.873 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -59.52 -50.24 74.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.168 0.509 . . . . 0.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 11.7 mt -68.85 -35.84 77.42 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.911 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -67.7 -23.05 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 74.3 mm-40 -83.52 -36.24 24.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.6 pt -99.46 -6.57 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 8.4 pt-20 -54.11 -29.66 45.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -23.5 43.22 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -94.92 -30.27 14.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.082 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 63' ' ' LEU . 35.3 mm -72.01 105.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.735 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.65 -15.29 16.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.595 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -113.08 130.49 56.15 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.426 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 64' ' ' ILE . 1.5 tp10 -55.1 -42.22 72.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.175 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' HG12 ' A' ' 64' ' ' ILE . 56.5 mp0 -56.93 -38.35 72.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.023 -0.99 . . . . 0.0 112.315 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.595 ' HG2' ' HB2' ' A' ' 59' ' ' SER . 78.2 mm-40 -61.87 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 57' ' ' ILE . 4.8 tp -66.8 -41.54 87.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.736 HD11 ' HG3' ' A' ' 60' ' ' GLU . 5.0 mm -57.94 -47.02 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 1.3 t30 -60.67 -49.77 76.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.01 -43.11 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 110.432 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.864 ' HD2' HD12 ' B' ' 390' ' ' LEU . 13.1 ttmm -69.35 -43.61 73.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.867 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 6.0 ptp180 -60.62 -25.2 66.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.483 0.182 . . . . 0.0 111.265 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 65' ' ' ASN . 32.5 mm -87.86 -53.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.509 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.3 tp -56.43 -44.07 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.174 0.296 . . . . 0.0 111.205 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -61.93 -56.85 14.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.624 0.726 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.34 -44.51 75.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.98 -48.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.518 0.199 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.75 -41.7 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 109.939 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.34 -42.74 99.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.901 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -68.4 -46.39 70.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -58.98 -39.2 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.997 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.461 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.8 p -83.76 -15.92 46.71 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -116.44 -75.4 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.613 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 92.5 m-85 -59.29 -54.35 47.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 39.7 m-20 -66.72 -40.41 88.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.653 0.263 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 60.23 20.86 10.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.19 7.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 122.245 1.021 . . . . 0.0 109.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -101.67 126.11 48.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.704 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.4 mt -93.56 141.91 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 1.6 mt-10 . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.397 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.786 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 32.5 m-85 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.5 mm? -82.28 122.77 28.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.968 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.18 138.47 54.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.58 142.54 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' OD1' HD11 ' A' ' 85' ' ' ILE . 11.3 m120 -102.04 147.62 34.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.284 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.62 -6.45 18.57 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.669 2.246 . . . . 0.0 112.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.83 -63.22 1.22 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.421 ' HD1' HD22 ' A' ' 115' ' ' LEU . 0.2 OUTLIER 53.83 -154.41 0.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.412 -179.684 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.421 HD22 ' HD1' ' A' ' 114' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.932 0.396 . . . . 0.0 110.978 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 390' ' ' LEU . . . . . 0.864 HD12 ' HD2' ' A' ' 67' ' ' LYS . 3.0 tp . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 391' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 7.2 pt-20 -65.4 -17.28 64.42 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.387 0.613 . . . . 0.0 109.644 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -78.63 -21.42 48.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.532 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 393' ' ' ILE . . . . . 0.705 ' O ' ' HG3' ' B' ' 396' ' ' LYS . 26.2 mm -70.75 -28.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.768 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 26.8 ptt180 -69.07 -25.61 64.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 109.792 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 396' ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.592 0.234 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 22.6 Cg_exo -65.49 -28.75 53.61 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.881 2.387 . . . . 0.0 112.528 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 16.8 tptm -71.16 -20.64 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -28.64 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.95 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 m 63.4 -177.96 0.15 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.746 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 14' ' ' PHE . 70.8 mt 62.85 54.47 2.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.801 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -138.74 -46.13 0.49 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.625 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tp -143.35 -30.25 0.51 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.64 -46.87 58.87 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.415 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CD2' HD23 ' A' ' 10' ' ' LEU . 10.4 m-85 -96.46 75.52 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 m -62.13 -44.98 95.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.737 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -41.79 99.51 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.949 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.67 -45.46 86.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.473 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 m -66.38 -40.64 89.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 0.0 110.865 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 9.9 tpt180 -63.62 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 73' ' ' VAL . 1.5 mp -78.54 -49.92 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -57.27 -37.11 71.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.502 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.87 -35.98 75.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.57 -36.52 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.731 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 24' ' ' ILE . 1.6 mm -70.39 -52.34 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.73 -43.66 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -66.31 -49.33 67.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -68.93 -30.97 69.53 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.337 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 110' ' ' VAL . 29.9 tp -74.4 -47.48 33.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.849 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.641 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 13.9 ptm180 -62.0 -29.67 70.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 110.533 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -70.73 -45.39 64.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.55 -34.62 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.4 pt-20 -68.79 -29.39 67.74 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -71.46 -31.35 67.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.658 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -83.89 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.162 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 16.0 mm-40 -107.37 -83.27 0.54 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.418 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' A' ' 35' ' ' GLU . 34.8 t70 -177.81 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -164.04 99.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.14 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.01 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.637 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.37 -179.57 0.13 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.645 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? 54.73 71.82 0.51 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.644 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -154.97 59.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.899 0.381 . . . . 0.0 111.652 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -62.2 1.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -32.84 41.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.09 -43.3 86.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.559 HD12 ' HE1' ' A' ' 48' ' ' TRP . 20.9 tp -57.17 -45.27 83.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.685 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.803 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.2 t -72.53 -42.89 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.038 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -50.87 -58.8 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.69 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' HE1' HD12 ' A' ' 45' ' ' LEU . 24.4 p-90 -66.41 -30.21 70.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.886 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 19' ' ' ARG . 19.3 t80 -61.67 -51.02 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.119 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 12.0 mt -62.69 -41.51 99.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.835 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -67.07 -23.99 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.317 . . . . 0.0 111.844 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -84.39 -37.45 21.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.912 0.387 . . . . 0.0 111.824 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.678 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 38.6 pt -95.46 -10.16 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt-20 -59.24 -23.83 62.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 m -76.61 -28.1 55.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 5.0 pt-20 -93.73 -21.19 19.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.311 0.577 . . . . 0.0 109.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 62' ' ' GLU . 30.5 mm -81.05 91.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.269 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' OD1' ' HG2' ' B' ' 405' ' ' MET . 71.8 m-20 -94.12 -7.23 43.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -118.34 133.56 55.79 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.866 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 64' ' ' ILE . 57.5 tt0 -56.17 -37.98 70.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.24 -48.53 68.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.186 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 57' ' ' ILE . 15.8 mm-40 -55.9 -50.92 69.36 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.892 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 8.8 tp -59.16 -48.32 82.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.231 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 60' ' ' GLU . 45.5 mt -58.76 -39.56 77.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.2 t30 -69.04 -48.43 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.778 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -59.78 -42.08 92.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.934 ' HD2' HD12 ' B' ' 390' ' ' LEU . 88.3 mttt -68.23 -35.35 77.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.841 0.353 . . . . 0.0 110.408 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' HA ' HG11 ' B' ' 385' ' ' VAL . 40.3 ttt180 -64.87 -46.92 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.0 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 65' ' ' ASN . 45.5 mm -66.9 -48.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.158 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.577 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.9 tp -58.99 -41.69 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.114 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.52 -45.9 71.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.137 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -61.45 -39.19 89.93 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HG21 ' A' ' 20' ' ' ILE . 38.7 t -65.41 -46.85 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.589 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.93 -42.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.998 0.428 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -63.24 -40.32 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.237 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.658 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 42.7 ttp180 -70.66 -42.48 70.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.815 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.6 tt -56.08 -40.13 73.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.28 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.659 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 4.2 p -87.1 3.35 46.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.724 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -141.6 -82.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.658 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.0 m-85 -55.71 -52.08 65.1 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 47.4 m-20 -69.31 -39.51 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 56.85 39.56 29.47 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.886 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.549 HG23 ' HG ' ' A' ' 77' ' ' LEU . 6.7 m -103.47 11.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.518 0.675 . . . . 0.0 109.893 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -90.95 155.43 18.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.921 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.861 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.2 mt -128.09 136.13 61.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.54 144.84 50.69 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 87' ' ' LEU . 14.1 mt -69.6 -72.67 0.18 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.297 0.57 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.599 ' O ' HD21 ' A' ' 92' ' ' LEU . 7.3 p -79.73 -170.62 2.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.853 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.489 ' HA ' HD11 ' A' ' 92' ' ' LEU . 23.9 tt0 -142.59 -43.29 0.32 Allowed 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.162 0.506 . . . . 0.0 110.189 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.14 -17.36 64.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.513 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.57 5.03 54.31 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.272 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.599 HD21 ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -134.18 -7.89 2.64 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.578 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -101.6 111.92 24.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.693 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.82 173.07 55.05 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m 65.28 -169.03 0.2 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 122.513 0.325 . . . . 0.0 110.642 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 m 62.98 -85.65 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.885 0.474 . . . . 0.0 111.406 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -85.9 -20.67 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.9 48.33 5.23 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.765 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.5 146.47 48.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.25 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.539 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 10.9 mp0 -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m 48.9 48.01 20.92 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.594 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.539 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 48.7 p90 -93.81 -25.12 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.13 -71.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -173.25 176.45 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.771 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.9 133.68 81.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.649 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.487 ' HG2' HD23 ' A' ' 92' ' ' LEU . 11.5 Cg_endo -53.32 -76.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.69 2.927 . . . . 0.0 113.811 -178.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.95 133.05 49.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.38 119.18 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.861 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -140.69 153.65 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 28' ' ' LEU . 3.4 p -115.82 144.83 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.516 0.198 . . . . 0.0 111.358 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.8 t30 -78.75 131.01 68.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.899 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 17.3 Cg_exo -67.58 -5.27 13.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.984 2.456 . . . . 0.0 112.964 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.82 -67.85 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.321 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 83' ' ' VAL . 1.6 t80 59.87 -164.46 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.511 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -137.84 27.57 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.131 -0.355 . . . . 0.0 111.75 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 116' ' ' LEU . 1.9 pt? -89.65 166.77 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.322 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.94 -80.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.982 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.028 0.442 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -134.52 144.3 47.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.33 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.79 133.22 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.322 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 59.45 77.78 0.3 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.015 0.822 . . . . 0.0 110.987 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -63.65 111.18 3.92 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.768 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 68' ' ' ARG . 5.2 p -70.45 126.13 30.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 35.3 m 55.99 77.79 0.22 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.332 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' B' ' 391' ' ' GLU . 29.4 tt0 -55.75 -30.06 60.6 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.461 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.53 -45.97 90.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.083 0.468 . . . . 0.0 111.079 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.4 -29.45 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.934 HD12 ' HD2' ' A' ' 67' ' ' LYS . 6.1 tp -82.09 -21.92 36.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 15.7 tt0 -57.58 -29.94 64.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -22.36 62.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.487 0.661 . . . . 0.0 110.556 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 63' ' ' LEU . 9.2 mt -72.34 -31.65 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.05 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 22.2 ptt85 -59.64 -32.27 70.29 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.132 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -85.06 -30.11 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.1 OUTLIER -65.02 -40.41 94.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.234 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -37.01 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.879 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.38 68.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.53 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -60.22 -53.62 55.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.853 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.61 -2.02 24.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.131 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -89.95 -49.57 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.24 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 3.0 pp -77.4 -34.03 54.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -97.9 120.34 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.124 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.2 108.81 6.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.243 0.544 . . . . 0.0 110.467 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 405' ' ' MET . . . . . 0.458 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt -92.26 -4.08 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.539 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.51 124.13 17.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.288 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -60.27 121.2 11.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 86.4 t90 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.014 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.61 -22.05 51.38 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.621 2.214 . . . . 0.0 112.666 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -71.68 115.77 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.516 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.5 -38.12 22.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m 69.07 137.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.043 0.537 . . . . 0.0 111.687 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.81 131.52 45.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.411 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -105.72 -173.18 2.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.19 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.79 -22.6 66.99 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.635 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.31 -34.1 62.62 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.103 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 36.8 m-85 -85.58 61.3 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -54.73 -48.66 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.047 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.89 -43.16 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.568 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 31.7 m-85 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -61.5 -43.19 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -48.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.423 . . . . 0.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -57.54 -43.31 84.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.39 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.04 -41.3 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.079 0.466 . . . . 0.0 110.355 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.431 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.3 mm -65.76 -47.82 84.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.88 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.64 -49.71 79.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.757 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.53 -49.1 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.628 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -57.78 -46.83 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.74 -38.68 89.79 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.679 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.19 -45.81 91.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 110.661 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.21 -41.91 84.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.34 0.59 . . . . 0.0 110.08 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.48 -51.7 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.453 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.904 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 14.3 pt-20 -61.32 -31.69 71.55 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.787 0.327 . . . . 0.0 111.385 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.83 -38.63 61.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -85.77 -63.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -115.76 -0.03 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.904 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER 69.13 -75.42 0.07 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.412 0.685 . . . . 0.0 112.19 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -113.0 84.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 29.69 7.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HG22 ' A' ' 109' ' ' VAL . . . 53.8 -149.01 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.634 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -155.95 -37.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.555 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.465 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.2 mttp 65.73 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.66 0.6 . . . . 0.0 110.617 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.613 ' HB3' HG21 ' A' ' 74' ' ' ILE . 1.7 ptm180 -53.49 -52.61 59.02 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -58.46 -37.85 76.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.25 . . . . 0.0 111.546 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.21 -43.56 51.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 48' ' ' TRP . 3.6 mt -53.74 -51.79 62.21 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.466 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.862 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 31.7 t -66.0 -40.8 88.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.745 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 43' ' ' SER . 62.2 t30 -52.01 -60.7 2.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.861 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.452 ' HE1' HD23 ' A' ' 45' ' ' LEU . 53.7 p-90 -68.12 -28.85 67.68 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.094 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 33.7 t80 -60.81 -46.39 90.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.169 0.509 . . . . 0.0 109.897 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.862 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 18.1 mt -62.24 -41.3 98.3 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -62.7 -23.77 67.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.474 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.44 -25.59 28.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' ILE . 31.5 pt -112.78 -4.21 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 11.5 pt-20 -61.6 -21.97 64.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 m -90.1 -19.64 24.08 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.983 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.3 pt-20 -86.28 -29.5 23.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 62' ' ' GLU . 37.4 mm -76.93 124.83 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.831 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -113.68 -23.64 9.61 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.48 0.657 . . . . 0.0 109.773 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.556 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 3.2 m -111.06 158.19 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.156 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -38.21 78.52 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.001 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.21 -45.72 83.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.793 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.906 ' HB2' HG23 ' A' ' 57' ' ' ILE . 15.8 mt-10 -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.74 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.707 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 9.7 tp -65.16 -48.29 74.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.682 ' HA ' HD11 ' B' ' 390' ' ' LEU . 96.8 mt -60.54 -40.6 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -47.88 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.737 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -62.68 -47.48 83.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.401 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.707 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 58.1 mttt -67.88 -34.72 77.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.91 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 41.8 ttp180 -63.51 -44.3 94.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.359 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.31 -49.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.789 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.685 HG21 HG13 ' A' ' 46' ' ' VAL . 10.0 tp -56.16 -44.33 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.91 -37.22 67.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.248 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 31.0 ttpt -65.01 -37.62 88.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.98 -44.44 99.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 42' ' ' ARG . 55.7 mt -65.12 -39.87 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.421 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.79 -36.65 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.522 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 44.3 ttp180 -71.53 -44.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.887 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 16.1 tp -56.95 -40.85 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.898 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.838 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.3 p -83.24 -2.1 54.76 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -132.1 -76.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.939 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.757 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 48.4 m-85 -61.66 -50.22 73.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.569 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.887 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 22.7 m-20 -65.34 -51.86 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 59.68 29.72 19.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.249 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 81' ' ' ASP . 8.1 p -111.88 30.47 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 122.586 1.184 . . . . 0.0 109.736 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.838 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.0 OUTLIER -90.44 160.47 16.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.546 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.785 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 10.2 mt -123.04 127.86 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.5 152.17 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 110.743 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 106' ' ' PRO . 95.9 mt -80.24 -85.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.612 ' H ' ' HG3' ' A' ' 106' ' ' PRO . 19.2 p -103.69 132.25 50.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.44 28.93 1.36 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.82 88.48 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.135 0.493 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.3 -54.96 4.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.5 mt 57.71 33.6 23.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.291 0.567 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -122.92 -55.7 1.78 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.348 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.95 40.75 16.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.203 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.8 40.32 0.98 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.061 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 t -150.32 138.61 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -108.22 7.2 27.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.101 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.79 -54.62 9.44 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.182 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -80.65 0.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.67 -91.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.121 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 50.01 41.79 23.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.272 0.558 . . . . 0.0 110.766 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -88.82 -29.23 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.143 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -97.76 -164.51 1.15 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.75 132.58 46.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.016 0.436 . . . . 0.0 110.295 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.16 132.51 23.33 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG3' ' H ' ' A' ' 88' ' ' THR . 92.3 Cg_endo -78.77 179.33 6.59 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.404 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 98.1 m-85 -136.27 -161.64 1.18 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 84' ' ' LEU . 74.0 mt -109.13 135.78 49.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.083 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.785 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 4.6 t -125.72 166.23 22.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.932 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 109' ' ' VAL . 11.8 p -126.47 139.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -67.94 136.21 92.06 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.84 -19.67 40.2 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.891 2.394 . . . . 0.0 112.339 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.82 62.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 109.23 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 77' ' ' LEU . 56.4 t80 -94.15 119.92 33.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.722 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -95.18 172.09 8.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.13 177.73 5.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.952 0.406 . . . . 0.0 110.691 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.6 -51.45 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.139 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.179 -179.398 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.732 0.301 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -85.79 152.01 23.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 65.2 mt 55.22 43.29 29.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 42.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.37 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -77.58 172.68 55.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.501 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.77 100.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.322 0.561 . . . . 0.0 110.102 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 12.8 p 163.51 -41.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.804 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 9.4 tp60 -59.73 -32.76 70.84 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.833 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.67 -51.18 64.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.569 HD13 HG11 ' A' ' 46' ' ' VAL . 3.8 mt -83.57 -11.85 56.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 110.264 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.689 ' HA ' HD13 ' B' ' 393' ' ' ILE . 2.5 tp -85.13 -6.72 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.876 0.369 . . . . 0.0 110.488 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 387' ' ' GLN . 6.2 mm-40 -64.91 -14.1 58.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.229 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.89 -22.67 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 109.671 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.689 HD13 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -62.06 -38.67 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.305 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 7.7 ptp180 -60.86 -29.42 69.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.22 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.09 -39.02 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -59.35 -35.96 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.493 179.285 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 7.0 tp10 -51.82 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.42 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.17 75.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.604 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -45.24 83.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.316 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -88.32 -22.91 23.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.112 0.482 . . . . 0.0 110.359 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 401' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' B' ' 405' ' ' MET . 52.9 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.741 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.24 -13.7 60.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -84.58 -72.41 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -163.22 9.05 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.996 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 405' ' ' MET . . . . . 0.629 ' HB3' ' HA ' ' B' ' 401' ' ' GLN . 26.5 ttt -68.62 -24.52 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.157 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.2 m 61.22 -87.59 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.796 0.438 . . . . 0.0 111.466 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.561 ' HG3' ' HG2' ' B' ' 405' ' ' MET . 6.6 mmm180 50.26 50.83 17.93 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.833 0.453 . . . . 0.0 111.429 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.855 -179.661 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.2 -28.05 72.97 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.845 2.363 . . . . 0.0 113.102 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 12.4 ttpp -92.79 19.65 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.15 0.5 . . . . 0.0 110.619 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.54 164.13 30.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -121.24 -70.0 0.81 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.842 0.353 . . . . 0.0 110.432 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 118' ' ' ASP . 12.5 tp -136.71 -15.59 1.57 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 52.7 mtm-85 -71.45 97.16 1.59 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 tp -154.95 -54.63 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.571 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.32 37.96 1.04 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.502 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' CB ' ' A' ' 17' ' ' TYR . 98.0 m-85 -124.97 67.06 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -47.91 84.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.25 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.6 71.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.67 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' PHE . 1.9 t80 -58.4 -43.6 88.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.426 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.02 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.736 0.303 . . . . 0.0 111.596 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.5 -38.86 71.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.871 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 73' ' ' VAL . 1.6 mp -77.78 -48.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.489 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 p -53.34 -44.96 68.9 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.602 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.513 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -64.64 -37.22 86.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.79 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -60.08 -36.82 78.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 23' ' ' LEU . 3.1 mm -70.28 -51.91 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 22' ' ' ASN . 7.2 p -66.69 -39.98 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.25 -47.36 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.653 0.263 . . . . 0.0 111.491 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -63.5 -42.46 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 112' ' ' PRO . 1.9 tm? -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.132 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 ptm180 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -72.75 -52.68 14.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.781 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.06 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -72.07 -27.9 62.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.087 -0.383 . . . . 0.0 111.546 -179.578 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.48 -39.13 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.26 -64.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.4 pt-20 -94.69 -8.11 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.9 m-20 61.29 32.99 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.235 0.54 . . . . 0.0 110.596 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -125.77 94.02 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.748 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -83.68 -23.6 31.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.128 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . . . -90.55 125.34 35.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.84 -164.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -88.36 130.28 35.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -28.83 65.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.4 -35.6 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.17 -53.35 44.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.0 -36.15 50.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -52.74 -59.15 4.84 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -67.49 -29.82 69.35 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.965 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -57.84 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.15 -42.64 68.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.728 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.78 -32.14 69.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.744 0.307 . . . . 0.0 111.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -69.6 -30.36 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 57' ' ' ILE . 33.5 pt -104.91 -8.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.55 -17.78 48.17 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.25 -28.35 47.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.1 pt-20 -98.3 -18.58 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.983 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 63' ' ' LEU . 34.1 mm -67.67 114.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.599 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -110.72 -13.19 14.22 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 m -129.73 130.31 45.28 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.697 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -27.86 63.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -51.93 -39.35 59.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.52 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.46 -51.98 17.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.552 HG23 HD21 ' B' ' 390' ' ' LEU . 83.5 mt -62.88 -36.56 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.391 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' HG12 ' A' ' 69' ' ' ILE . 4.0 t30 -64.41 -55.05 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.498 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 70' ' ' ILE . 20.3 mmtp -57.85 -44.89 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.993 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HD2' ' HB3' ' B' ' 389' ' ' LEU . 2.1 tppt? -62.06 -44.94 95.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -62.7 -41.07 98.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 65' ' ' ASN . 49.1 mm -69.0 -51.26 45.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 66' ' ' LYS . 7.7 tp -61.58 -41.07 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.87 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.75 -43.19 98.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -63.83 -41.95 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.585 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 20' ' ' ILE . 74.9 t -64.24 -41.02 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.256 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -38.9 83.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.44 -35.76 81.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.635 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.784 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 45.2 ttm105 -72.35 -47.34 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.562 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -83.97 -15.62 47.12 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -124.4 -73.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 49.5 m-85 -50.98 -65.69 0.51 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.609 0.568 . . . . 0.0 111.534 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -70.15 -45.47 66.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.871 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 55.53 36.02 26.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.81 14.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.335 0.588 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.13 122.56 33.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.894 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.742 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.5 mt -90.46 132.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -146.81 141.67 26.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.349 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 106' ' ' PRO . 54.2 mt -67.45 -73.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.241 0.543 . . . . 0.0 110.04 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 t -139.71 142.85 36.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.526 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.561 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -66.63 -24.45 66.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.62 112.83 3.36 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.095 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.14 -53.1 0.7 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.013 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.34 -21.56 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 -179.532 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG2' HD12 ' A' ' 92' ' ' LEU . 58.7 mmtt -87.14 -35.69 18.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.486 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.19 56.14 1.86 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.716 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.19 101.67 5.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.915 0.388 . . . . 0.0 110.172 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -76.47 135.1 39.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.751 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 64.94 88.79 0.1 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.91 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.63 -142.41 5.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.666 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 m -67.27 -36.13 80.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.998 0.428 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.566 ' HB2' ' HD1' ' A' ' 102' ' ' TYR . 1.6 pt-20 -135.62 -72.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.97 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.81 28.22 12.04 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.544 0.528 . . . . 0.0 111.65 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' HD1' ' HB2' ' A' ' 100' ' ' GLU . 42.4 p90 -94.73 -15.38 23.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -87.81 -177.15 5.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 105' ' ' ASP . 8.0 mm-40 -89.19 -153.8 0.28 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.627 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 104' ' ' GLU . 21.6 t70 -101.22 108.65 55.84 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.094 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.451 ' HB3' HD12 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -92.04 -171.2 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.083 2.522 . . . . 0.0 112.615 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.454 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 71.8 m-85 -137.05 -169.81 2.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.122 0.487 . . . . 0.0 111.512 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.07 122.89 47.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.134 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.742 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -125.35 139.19 51.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.065 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.515 HG13 ' HG ' ' A' ' 28' ' ' LEU . 7.7 p -110.54 155.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 113' ' ' ASN . 3.1 p-10 -62.94 152.49 83.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' LEU . 50.7 Cg_endo -71.19 11.59 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.86 2.374 . . . . 0.0 112.675 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 111' ' ' ASN . 8.2 p30 -139.83 -156.83 0.71 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.9 t80 177.16 147.83 0.12 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.497 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.08 173.17 7.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 mt -116.5 154.92 29.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.6 -31.94 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.473 ' HB2' HD13 ' A' ' 10' ' ' LEU . 1.7 m-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.429 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.445 0.164 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 58.46 39.48 25.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.562 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.19 120.28 37.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.556 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 10.9 tttp 70.03 -70.54 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.96 0.787 . . . . 0.0 110.938 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.34 57.43 5.11 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.888 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -144.73 106.54 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.982 0.42 . . . . 0.0 111.31 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 16.0 m 71.88 -47.89 0.67 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.688 0.795 . . . . 0.0 112.775 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' B' ' 387' ' ' GLN . 6.2 pt20 -59.34 -18.91 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.23 -30.43 64.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.8 0.333 . . . . 0.0 111.355 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.628 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 3.3 mm? -65.1 -48.18 74.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 64' ' ' ILE . 18.5 tp -83.38 -8.86 59.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.598 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.91 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.236 0.541 . . . . 0.0 110.152 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.25 -36.23 77.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.106 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.51 ' HA ' ' HG3' ' B' ' 396' ' ' LYS . 1.4 mp -60.99 -35.58 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.838 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' B' ' 394' ' ' ARG . 1.7 mmm180 -68.96 -29.43 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.429 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -36.5 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.51 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -81.85 -10.51 59.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.578 -179.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -56.89 -53.94 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.466 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.75 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -69.62 -41.32 75.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -41.46 90.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -74.31 -62.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.429 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.06 -79.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 111.303 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -177.77 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.973 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -125.99 163.74 22.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.967 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 405' ' ' MET . . . . . 0.409 ' O ' ' HB ' ' B' ' 406' ' ' THR . 57.8 ttm -88.08 -41.35 13.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.379 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 406' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' B' ' 405' ' ' MET . 9.9 t 173.38 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.797 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 407' ' ' ARG . 4.0 ttm180 -160.77 -161.82 0.88 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.357 179.852 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.04 97.02 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.467 2.111 . . . . 0.0 112.171 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -90.22 145.33 25.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.313 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.07 177.69 8.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.052 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -94.06 -80.35 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 tp -172.79 76.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.35 . . . . 0.0 110.22 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 11' ' ' ARG . 4.7 ptm180 -150.92 6.82 0.52 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.066 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 12' ' ' LEU . 13.4 tp -62.71 -74.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.47 54.99 0.78 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 68.4 m-85 -124.93 29.39 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.777 0.322 . . . . 0.0 110.989 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -61.37 -40.0 92.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -70.86 -40.68 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -60.3 -48.59 81.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 6.1 t -59.95 -34.77 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.647 0.26 . . . . 0.0 110.763 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 13.5 tpt180 -70.34 -39.1 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.93 -49.37 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.645 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 m -58.12 -30.65 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.72 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -63.97 -33.39 75.63 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.154 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.18 -37.83 86.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.094 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.9 mm -59.59 -52.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.329 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.14 -43.51 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.75 -50.85 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.2 t60 -62.32 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.823 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.35 -44.43 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 58.5 mtt180 -55.68 -42.33 75.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 111.09 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -72.08 -43.98 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.776 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 38' ' ' SER . 75.1 t -64.92 -46.59 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.182 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.2 pt-20 -61.34 -28.35 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 110.663 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.16 -38.87 56.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.29 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 6.8 pt-20 -109.83 -13.5 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.842 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 24.0 t70 71.89 -34.4 0.3 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.036 0.534 . . . . 0.0 112.407 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 35' ' ' GLU . 60.3 mt-10 -105.33 89.41 3.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.574 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.541 ' HA ' HG11 ' A' ' 31' ' ' VAL . 56.6 p -57.09 -46.13 82.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 107' ' ' TYR . . . 52.41 -150.08 0.34 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.732 ' H ' ' HD2' ' A' ' 107' ' ' TYR . 1.4 tp -56.0 116.65 3.11 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -170.03 32.66 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.934 178.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -61.12 -50.97 71.07 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 45.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.76 -40.24 94.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.434 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -49.13 66.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.15 0.5 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.929 HG11 ' HG ' ' B' ' 389' ' ' LEU . 9.8 t -72.93 -38.94 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.292 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 65.5 t30 -49.59 -58.83 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.8 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -67.74 -29.87 69.2 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.896 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 23' ' ' LEU . 23.2 t80 -61.2 -46.69 89.42 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.392 0.615 . . . . 0.0 109.778 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 17.9 mt -69.03 -42.92 75.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 24.8 mmtp -56.21 -30.46 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.532 0.52 . . . . 0.0 111.393 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.11 -52.89 5.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.01 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 57' ' ' ILE . 26.5 pt -70.72 -23.08 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 17.0 pt-20 -62.85 -13.31 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -70.38 -27.17 64.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.815 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -105.42 -9.21 17.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.034 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.836 HG23 ' HB2' ' A' ' 62' ' ' GLU . 44.8 mm -76.89 119.36 25.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.422 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 38.4 t70 -116.71 -15.3 10.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.354 0.597 . . . . 0.0 110.029 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -117.58 145.75 44.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.772 -178.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 64' ' ' ILE . 33.6 tt0 -62.22 -37.96 87.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.9 -37.55 76.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.386 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.836 ' HB2' HG23 ' A' ' 57' ' ' ILE . 24.9 mt-10 -63.24 -46.63 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.452 0.644 . . . . 0.0 109.986 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.774 HD23 HG12 ' B' ' 393' ' ' ILE . 7.4 tp -64.29 -44.44 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 96.7 mt -65.27 -44.63 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.726 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.7 -51.68 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 53' ' ' ILE . 33.5 mmtm -58.56 -43.4 89.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.995 ' HD3' HD12 ' B' ' 390' ' ' LEU . 16.9 mttp -68.78 -32.12 71.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.316 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -75.95 -36.8 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.796 0.332 . . . . 0.0 111.377 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.7 mm -73.14 -43.01 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.741 0.305 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.665 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -60.86 -40.98 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.84 -28.88 64.92 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.194 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -67.41 -48.52 67.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.41 -38.98 82.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.944 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.77 -43.7 98.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 109.935 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.35 -36.6 84.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.467 0.651 . . . . 0.0 109.371 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.828 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 10.8 ttm180 -66.06 -40.46 90.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.855 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 59.1 tp -62.51 -29.15 70.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.23 4.25 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -144.78 -70.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.865 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.828 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 62.2 m-85 -60.72 -55.33 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.813 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.617 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 74.8 m-20 -64.83 -45.84 84.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t60 61.99 19.83 11.07 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.162 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' ASP . 7.4 m -101.51 18.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 122.096 -0.377 . . . . 0.0 110.965 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 108' ' ' LEU . 1.4 tt -92.31 130.09 38.09 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.839 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 12.1 mt -96.05 132.35 40.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.245 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -139.13 128.29 23.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.176 0.512 . . . . 0.0 110.42 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.2 mt -101.66 -148.6 0.37 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.611 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.7 p -105.81 173.1 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 101' ' ' SER . 20.8 tt0 -111.41 -20.95 12.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.73 -29.37 21.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.045 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.88 45.2 3.3 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.051 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.494 HD13 ' HE1' ' A' ' 107' ' ' TYR . 33.6 mt -122.28 92.9 3.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.658 0.266 . . . . 0.0 110.718 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 tptp 61.05 24.93 15.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.838 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.14 -170.04 24.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.44 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.0 m -140.83 147.89 39.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.641 0.258 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.13 -44.04 16.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -159.1 108.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.96 177.67 25.53 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.719 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 m -116.04 -80.72 0.6 Allowed 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.917 -0.166 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.61 -102.73 0.12 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.639 0.587 . . . . 0.0 111.694 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 19.7 m 55.61 49.02 17.34 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.198 0.523 . . . . 0.0 111.225 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -105.77 -22.99 12.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.54 -50.01 55.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.961 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -102.58 154.24 19.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.541 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' OD2' HD21 ' A' ' 108' ' ' LEU . 16.4 p-10 -89.66 152.28 46.81 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.28 -152.62 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.005 2.47 . . . . 0.0 113.702 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.732 ' HD2' ' H ' ' A' ' 40' ' ' LEU . 77.1 m-85 -74.81 126.71 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 84' ' ' LEU . 1.3 mm? -95.82 119.88 35.09 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.22 0.533 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.839 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 2.1 t -118.04 160.4 17.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.084 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.4 HG23 HD11 ' A' ' 77' ' ' LEU . 13.0 p -128.21 148.45 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.372 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -78.59 146.01 68.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.148 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.03 -22.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.78 2.32 . . . . 0.0 112.906 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -103.68 82.2 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.407 0.623 . . . . 0.0 110.522 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -80.6 140.8 35.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.191 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -116.01 177.08 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.85 -179.9 3.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.292 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -59.74 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.074 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.793 -179.347 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.721 0.296 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.54 61.8 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.763 HD23 HG13 ' B' ' 385' ' ' VAL . 44.4 tp -90.8 141.79 28.44 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -89.93 25.39 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -157.45 55.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.731 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.763 HG13 HD23 ' B' ' 382' ' ' LEU . 0.0 OUTLIER -128.31 121.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.939 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -68.1 -19.44 64.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.653 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -57.0 -36.16 70.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -39.35 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.384 0.612 . . . . 0.0 110.382 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.929 ' HG ' HG11 ' A' ' 46' ' ' VAL . 1.7 mm? -84.14 -19.08 34.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.995 HD12 ' HD3' ' A' ' 67' ' ' LYS . 1.4 tp -73.51 -6.26 45.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.74 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 35.9 mt-10 -62.55 -16.24 55.09 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.416 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.544 ' HD3' ' HE2' ' A' ' 51' ' ' LYS . 31.2 tpt180 -84.16 -23.98 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.318 0.58 . . . . 0.0 110.186 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.774 HG12 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -62.1 -33.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.403 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 12.1 ptp180 -62.31 -23.61 66.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -84.89 -31.93 23.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -66.49 -30.45 70.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.175 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 12.1 mm-40 -54.74 -41.97 71.05 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.594 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.58 68.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -62.43 -40.3 96.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' A' ' 58' ' ' ASP . 42.2 mmtt -94.25 1.82 55.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.875 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 401' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' B' ' 397' ' ' GLU . 5.4 tt0 -71.54 -7.88 50.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.94 -70.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 50.08 -119.16 1.27 Allowed 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.633 0.583 . . . . 0.0 111.163 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 170.86 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.4 -14.91 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.336 0.589 . . . . 0.0 110.117 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.1 p -88.96 98.9 12.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.96 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.47 0.652 . . . . 0.0 109.496 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.455 179.602 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.333 0.111 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.65 -33.61 12.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.589 2.192 . . . . 0.0 111.634 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -148.17 121.26 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.894 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.17 146.3 23.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m 70.19 118.18 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.891 0.744 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt 59.31 69.06 0.75 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.356 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -81.56 -69.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.096 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.531 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -155.74 151.37 27.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.338 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' H ' HD13 ' A' ' 12' ' ' LEU . . . 66.78 64.18 3.45 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.499 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -141.8 24.24 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.626 0.251 . . . . 0.0 110.996 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -55.34 -48.59 73.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -39.87 95.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -58.54 -47.57 83.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 9.3 m -62.61 -36.75 83.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 12.3 tpt180 -65.9 -37.13 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' HD3' ' A' ' 66' ' ' LYS . 1.2 mp -76.49 -49.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.426 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 24' ' ' ILE . 6.0 m -61.67 -34.06 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.712 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' SER . 37.1 t30 -63.53 -32.62 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.974 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -57.4 -44.28 84.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.661 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 9.1 tp -67.62 -33.75 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.549 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -75.95 -45.69 36.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.994 0.426 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 34.9 mt -62.68 -48.84 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.255 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 31' ' ' VAL . 29.7 t60 -69.3 -36.55 77.12 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.106 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.0 -49.18 71.24 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.868 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.8 ptm180 -59.38 -31.83 69.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.673 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -72.16 -43.66 64.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 40' ' ' LEU . 44.2 t -64.53 -46.51 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.192 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 3.3 pt-20 -63.25 -28.93 70.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -79.75 -31.98 41.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.002 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -81.54 -67.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.618 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 7.1 pt-20 -103.65 -17.46 15.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 16.4 t70 72.06 -8.1 1.2 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.978 0.418 . . . . 0.0 111.852 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.01 -39.07 79.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.256 0.551 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 7.2 m 60.95 19.53 9.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.515 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.57 104.87 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 31' ' ' VAL . 1.5 mm? -107.25 -169.06 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.499 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' A' ' 44' ' ' GLU . 73.0 mmtt -97.81 141.35 30.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -57.33 -55.68 31.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.336 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -30.34 70.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.663 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' CB ' ' HB2' ' A' ' 41' ' ' LYS . 35.9 tt0 -59.05 -50.03 75.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.744 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.546 HD13 ' HE1' ' A' ' 48' ' ' TRP . 1.6 mm? -52.35 -47.47 66.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 111.425 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.856 HG11 HD13 ' B' ' 389' ' ' LEU . 24.2 t -72.85 -42.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -49.71 -56.78 8.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.727 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.546 ' HE1' HD13 ' A' ' 45' ' ' LEU . 50.9 p-90 -69.1 -28.11 66.2 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.043 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CD1' HD13 ' A' ' 23' ' ' LEU . 26.2 t80 -62.38 -47.55 83.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 109.532 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 ' HE3' ' A' ' 67' ' ' LYS . 13.8 mt -64.41 -43.91 92.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.494 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 16.1 mmtt -59.04 -27.32 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.367 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.48 -50.88 8.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' O ' HG12 ' A' ' 57' ' ' ILE . 30.3 pt -68.38 -26.08 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.987 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 63' ' ' LEU . 5.1 mt-10 -63.19 -15.86 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -85.14 -15.25 44.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 8.2 pt-20 -114.32 -31.07 6.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.616 0.246 . . . . 0.0 111.236 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.841 HG21 ' HB2' ' A' ' 63' ' ' LEU . 24.6 mm -62.36 118.56 4.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.215 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' HB2' ' HB ' ' B' ' 406' ' ' THR . 36.2 t70 -108.47 -13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.186 0.517 . . . . 0.0 110.585 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 1.4 m -118.76 130.47 55.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.121 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.77 -36.13 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.739 -0.209 . . . . 0.0 111.287 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.65 -43.03 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.578 0.549 . . . . 0.0 110.073 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.814 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.4 mm-40 -62.58 -55.56 26.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.689 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.841 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.1 tp -59.51 -51.46 69.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.791 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.776 ' HA ' HD11 ' B' ' 390' ' ' LEU . 65.4 mt -56.9 -39.19 63.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.17 -49.45 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.709 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HD3' HD11 ' A' ' 20' ' ' ILE . 17.6 mmtp -56.55 -44.98 81.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.915 ' HE3' HD13 ' A' ' 50' ' ' LEU . 36.3 mttp -65.97 -32.92 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.28 -44.32 59.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -63.87 -49.81 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.267 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 46' ' ' VAL . 9.2 tp -56.54 -41.91 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.527 0.203 . . . . 0.0 111.0 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HG3' ' CB ' ' B' ' 386' ' ' SER . 0.3 OUTLIER -68.19 -44.82 75.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.12 0.486 . . . . 0.0 110.018 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.574 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.7 -43.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.53 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.0 mt -62.34 -40.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.13 0.491 . . . . 0.0 109.694 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.908 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.825 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 3.3 ttt180 -68.56 -44.5 74.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.58 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.753 HD11 HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -65.51 -32.61 74.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.97 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' HG ' ' A' ' 84' ' ' LEU . 4.1 p -86.37 -1.42 57.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -135.23 -71.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.952 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.825 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.7 m-85 -61.27 -57.56 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.775 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 62.3 m-20 -67.19 -46.99 72.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.85 0.357 . . . . 0.0 110.069 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.56 33.07 11.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.445 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.47 10.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.235 0.54 . . . . 0.0 110.316 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 77' ' ' LEU . 1.3 tm? -91.0 130.55 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.446 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.897 ' HB ' HG13 ' A' ' 109' ' ' VAL . 12.8 mt -98.04 120.4 47.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.819 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -146.0 142.37 28.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.068 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' ' H ' ' A' ' 88' ' ' THR . 30.5 mt -95.27 -149.97 0.31 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.135 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.434 ' H ' ' HB3' ' A' ' 87' ' ' LEU . 14.3 t -63.7 136.01 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.104 0.478 . . . . 0.0 110.986 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -71.86 -29.98 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 115.17 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.81 -11.73 27.44 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.837 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.0 mt -84.08 -26.24 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -100.07 -48.29 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.81 6.93 20.55 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -56.71 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.068 0.461 . . . . 0.0 110.289 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 t -107.67 133.81 51.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.195 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.52 -38.15 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.514 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.38 -138.98 15.71 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.965 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -120.29 -63.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.636 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.573 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 75.2 mm-40 -115.43 -76.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.838 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.9 m 54.04 41.83 31.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.23 0.538 . . . . 0.0 110.602 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.573 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 23.2 p90 -87.82 -8.81 55.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.225 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.59 -174.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.263 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 24.8 mm-40 -79.58 -163.26 0.5 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.8 m-20 -88.05 105.47 9.28 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 104' ' ' GLU . 12.0 Cg_endo -89.26 -68.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.865 2.377 . . . . 0.0 112.132 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 108' ' ' LEU . 48.1 m-85 57.91 -122.1 1.4 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.551 HD12 HD11 ' A' ' 84' ' ' LEU . 1.6 mm? -120.05 122.43 41.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.666 0.27 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.897 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -137.62 138.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.24 157.13 36.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.419 -0.176 . . . . 0.0 110.717 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.16 137.37 21.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.743 0.306 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.55 -2.4 8.31 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.4 2.733 . . . . 0.0 113.095 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.99 -46.83 15.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 t80 53.91 -150.36 0.39 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.988 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.45 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -139.12 19.55 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 179.535 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -99.53 136.79 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.94 -32.69 74.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.359 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.302 179.722 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.678 0.275 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.43 143.78 51.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.896 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' B' ' 382' ' ' LEU . 0.2 OUTLIER -75.84 88.6 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.48 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -79.5 71.16 6.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.59 0.709 . . . . 0.0 110.414 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -163.21 -49.0 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' B' ' 382' ' ' LEU . 20.2 m -72.73 130.76 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.413 ' CB ' ' HG3' ' A' ' 71' ' ' GLU . 15.2 m 68.03 -3.29 1.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.823 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 391' ' ' GLU . 47.3 tt0 -71.42 -35.8 71.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.107 0.479 . . . . 0.0 110.165 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.515 ' HA ' ' HB2' ' B' ' 391' ' ' GLU . 9.2 p-10 -61.44 -20.6 63.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.099 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.856 HD13 HG11 ' A' ' 46' ' ' VAL . 32.3 mt -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 64' ' ' ILE . 7.6 tp -84.15 -23.06 30.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.633 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' B' ' 388' ' ' ASP . 35.0 mt-10 -65.1 -29.22 70.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.44 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.406 ' HD3' HH11 ' B' ' 392' ' ' ARG . 7.1 tpp180 -60.13 -29.66 68.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.499 0.666 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 67' ' ' LYS . 58.3 mt -61.77 -24.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.779 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -59.1 -36.46 75.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 0.0 110.42 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -92.48 -13.02 30.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 11.0 tttm -76.53 -17.26 59.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.27 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.57 -34.41 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.478 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.432 ' HA ' ' HE2' ' B' ' 400' ' ' LYS . 0.0 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -68.11 -26.87 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.2 21.33 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.267 0.556 . . . . 0.0 111.163 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -105.97 162.87 13.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -98.97 -116.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 47.4 ttm -97.58 -36.57 10.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 406' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 m 67.13 -63.74 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.031 0.832 . . . . 0.0 112.837 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -67.48 168.16 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.381 -179.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.576 -0.726 . . . . 0.0 110.363 179.694 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.46 146.13 61.07 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.314 2.009 . . . . 0.0 111.993 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.27 126.38 35.82 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.89 123.12 49.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -81.56 -171.55 3.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.06 -0.57 28.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -76.01 94.59 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.095 0.474 . . . . 0.0 109.98 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -165.62 -69.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 2.96 11.45 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.431 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.662 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 22.1 m-85 -102.95 72.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.899 0.381 . . . . 0.0 110.282 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -66.64 -44.39 82.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.32 -48.45 67.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.843 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 23.3 m-85 -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.762 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -66.02 -40.13 90.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.204 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -58.69 -48.76 80.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.546 ' CG2' HG21 ' A' ' 73' ' ' VAL . 1.4 mp -65.96 -46.67 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -58.6 -38.03 77.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -64.78 -39.64 93.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 109.629 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.43 -38.4 80.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.512 178.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.7 mm -63.11 -52.26 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.36 -36.18 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.587 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.1 mt -68.28 -50.52 53.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.6 t60 -57.8 -47.78 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD22 HG13 ' A' ' 110' ' ' VAL . 39.3 tp -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.4 ptm180 -62.37 -32.26 73.03 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.659 0.266 . . . . 0.0 110.767 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.76 -43.99 62.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.184 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 27' ' ' HIS . 38.9 t -58.4 -53.37 47.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.743 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.3 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 111.193 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.42 -24.71 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -90.81 -61.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 37' ' ' GLU . 13.4 pt-20 -106.7 -1.89 22.24 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.8 m-20 65.53 12.81 8.47 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 21.3 mt-10 -122.53 92.88 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.581 0.229 . . . . 0.0 110.615 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.14 -15.44 62.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.514 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -81.61 103.42 11.31 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.11 -163.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -95.92 142.99 27.5 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.983 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 74' ' ' ILE . 54.1 ttt180 -75.07 -44.32 48.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.546 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -60.79 -37.98 83.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 111.067 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.81 -32.25 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.682 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.8 t -71.99 -35.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.536 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -55.9 -58.07 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.68 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 27' ' ' HIS . 27.7 p-90 -67.64 -29.33 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.992 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t80 -59.4 -50.55 73.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.145 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.799 HD13 ' HE3' ' A' ' 67' ' ' LYS . 14.5 mt -62.73 -40.64 97.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.193 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -28.61 68.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.089 0.471 . . . . 0.0 111.438 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.25 -41.72 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.592 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.4 pt -73.69 -25.47 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.28 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.609 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 7.7 pt-20 -59.27 -21.84 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.698 0.285 . . . . 0.0 111.476 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -68.42 -19.72 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.707 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 -116.74 -6.35 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 62' ' ' GLU . 23.5 mm -84.64 108.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -17.21 20.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.259 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -120.8 134.79 55.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.244 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.44 72.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.471 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -56.29 -40.29 74.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.281 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.808 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.3 mm-40 -62.58 -50.37 71.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 57' ' ' ILE . 34.9 tp -61.53 -35.84 78.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.715 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.789 ' HA ' HD11 ' B' ' 390' ' ' LEU . 87.9 mt -69.95 -45.76 75.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.103 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.02 -48.02 82.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.078 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' HD13 ' A' ' 53' ' ' ILE . 3.5 tppt? -59.15 -36.38 75.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.808 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.799 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.05 -38.75 82.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.417 . . . . 0.0 110.343 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -64.43 -45.19 88.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.911 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -50.46 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.606 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -58.2 -40.45 77.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.586 0.231 . . . . 0.0 111.401 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.31 -41.0 67.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 0.0 110.061 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.59 -47.46 86.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.504 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 20' ' ' ILE . 32.0 m -64.09 -36.23 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.124 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 42' ' ' ARG . 76.8 mt -69.71 -36.24 69.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -68.26 -38.04 81.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.617 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 25.4 ttp180 -67.7 -41.01 84.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 41.1 tp -63.1 -41.77 99.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.481 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 HD13 ' A' ' 84' ' ' LEU . 7.7 p -80.33 4.69 17.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -139.09 -69.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.624 -0.43 . . . . 0.0 112.006 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.617 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 83.6 m-85 -64.64 -56.6 12.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.689 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -57.98 -50.54 73.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.62 19.18 11.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.46 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 115' ' ' LEU . 15.8 m -97.52 20.8 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.708 0.766 . . . . 0.0 110.253 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 78' ' ' THR . 1.3 pt? -90.89 153.64 20.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.86 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.899 ' HB ' HG13 ' A' ' 109' ' ' VAL . 11.3 mt -124.08 136.92 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 98.24 5.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' HG22 ' A' ' 85' ' ' ILE . 2.2 pp 171.78 177.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.24 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.522 ' H ' HD11 ' A' ' 92' ' ' LEU . 14.5 t -147.92 -0.36 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.489 ' HG3' ' C ' ' A' ' 88' ' ' THR . 3.0 pp0? 41.03 29.1 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.481 1.112 . . . . 0.0 113.541 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.456 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 112.34 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.33 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.24 -5.95 81.33 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.261 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD11 ' H ' ' A' ' 88' ' ' THR . 93.9 mt -73.3 -29.44 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -117.93 -53.59 2.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.7 141.72 12.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.786 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -119.12 130.59 55.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.835 0.35 . . . . 0.0 110.137 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.6 m -87.81 -56.75 3.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.17 -47.11 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.681 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.91 -149.4 7.69 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.4 m 62.36 99.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.487 . . . . 0.0 111.538 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 48.6 mt-10 -120.53 -74.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.966 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 m 56.17 31.12 17.72 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.006 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.506 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 40.4 p90 -80.74 -20.31 43.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.969 0.414 . . . . 0.0 110.491 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.53 -6.21 50.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.093 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' A' ' 105' ' ' ASP . 3.8 tp10 -120.46 -178.26 3.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.683 ' HB3' HD13 ' B' ' 382' ' ' LEU . 12.5 p-10 -75.2 153.27 86.26 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.333 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -65.93 -176.91 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.821 2.348 . . . . 0.0 112.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 42.6 m-85 -93.11 152.69 19.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.02 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 125.06 46.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.149 0.499 . . . . 0.0 110.973 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.899 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -136.76 142.9 36.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.705 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.683 HG13 HD22 ' A' ' 28' ' ' LEU . 10.9 p -115.77 146.97 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -67.95 142.33 95.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.358 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.13 -10.83 22.3 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.086 2.524 . . . . 0.0 112.785 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -69.92 -78.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.103 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.3 t80 65.99 142.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.621 0.724 . . . . 0.0 112.251 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.49 177.87 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.9 mt -121.35 171.46 8.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.795 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.04 -65.62 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.848 -0.16 . . . . 0.0 110.966 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--O 1.25 1.11 0 O-C-N 123.608 0.568 . . . . 0.0 111.252 179.612 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.618 0.246 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -143.81 131.46 21.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 105' ' ' ASP . 4.4 mp -104.0 11.9 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 383' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' A' ' 42' ' ' ARG . 12.0 tmtt? -63.49 100.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.574 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -99.32 -28.36 7.65 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.936 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.495 ' HA ' ' OD2' ' B' ' 388' ' ' ASP . 7.9 m -74.8 103.73 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 0.0 110.403 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' B' ' 389' ' ' LEU . 65.3 m -134.02 -67.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.113 -0.367 . . . . 0.0 111.649 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -68.7 -28.06 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.106 0.479 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' B' ' 385' ' ' VAL . 3.5 p30 -70.55 -8.73 53.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' B' ' 386' ' ' SER . 5.3 mp -66.29 -21.4 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.306 0.574 . . . . 0.0 110.296 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.789 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.2 tp -86.93 -7.12 58.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.612 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.467 ' HG3' ' HA ' ' B' ' 388' ' ' ASP . 23.0 mt-10 -64.01 -29.02 70.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.189 0.519 . . . . 0.0 110.513 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -65.45 -28.17 69.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.5 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 63' ' ' LEU . 12.8 mm -68.41 -23.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.213 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 394' ' ' ARG . 55.5 mtt85 -62.88 -28.67 70.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.56 -29.21 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.543 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -69.53 -39.39 77.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.84 -35.21 72.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.688 0.28 . . . . 0.0 110.851 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.83 73.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.045 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 399' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' B' ' 403' ' ' ALA . 49.2 mt-30 -66.48 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.475 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -37.79 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -92.82 -65.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.952 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 85.5 mt -108.68 -79.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 110.886 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 399' ' ' GLN . . . -175.0 -162.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.765 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.29 100.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.215 0.531 . . . . 0.0 109.845 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 86.3 mmm -83.44 -6.97 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.004 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 22.5 m -68.28 116.62 9.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.996 0.427 . . . . 0.0 110.205 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -101.14 -0.07 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.92 -179.118 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.06 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.422 0.153 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 24.8 Cg_exo -63.37 -62.5 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.915 2.41 . . . . 0.0 111.718 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -98.78 141.15 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.201 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.72 93.42 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.657 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -71.27 -31.76 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.027 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 32.2 mt 53.14 52.49 13.59 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -129.28 41.85 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.138 0.494 . . . . 0.0 110.423 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 48.3 mt -142.33 -54.51 0.43 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.76 -88.46 0.11 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.008 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER 34.88 66.22 0.31 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.067 0.947 . . . . 0.0 112.561 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -25.85 64.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -64.84 -44.09 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.884 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.08 -40.82 86.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -61.79 -40.11 94.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.912 0.387 . . . . 0.0 110.374 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.47 HG21 HG22 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -63.25 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.645 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.508 ' HB3' HD21 ' A' ' 116' ' ' LEU . 9.3 m -64.45 -35.02 79.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' SER . 27.7 t30 -62.18 -36.26 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.12 -37.49 80.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.883 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.484 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.2 mm -62.93 -53.15 50.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.871 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.41 -39.87 72.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.402 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 30.7 mt -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.609 0.243 . . . . 0.0 111.507 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -66.58 -41.05 89.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.448 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 38' ' ' SER . 2.4 tm? -60.33 -50.78 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.269 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 4.5 ptm180 -66.5 -30.06 70.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.421 . . . . 0.0 111.188 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -68.13 -48.91 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.56 -32.51 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.484 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.65 -28.73 61.93 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.574 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -89.03 -44.31 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -84.33 -64.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 0.0 111.945 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -75.6 -14.56 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.762 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.1 t0 58.1 32.75 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -143.18 104.96 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.51 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB3' HD21 ' A' ' 28' ' ' LEU . 15.6 m -74.78 3.85 7.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.104 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.87 116.48 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.349 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 pp -126.22 160.75 29.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -89.83 120.77 31.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.55 -40.5 71.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.072 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -71.23 -32.97 69.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.97 0.414 . . . . 0.0 110.898 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -76.01 -36.1 59.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD12 ' HE1' ' A' ' 48' ' ' TRP . 39.4 tp -56.21 -49.46 74.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.574 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.77 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.7 t -71.11 -32.26 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -54.31 -60.56 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.992 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.429 ' HE1' HD12 ' A' ' 45' ' ' LEU . 58.4 p-90 -67.24 -28.8 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.338 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.5 t80 -60.52 -45.5 93.58 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.77 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -71.84 -42.3 67.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.004 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -59.01 -27.28 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.904 0.383 . . . . 0.0 111.145 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 60.0 mm-40 -85.02 -48.85 8.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.693 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.8 pt -70.54 -27.44 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.941 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 7.5 pt-20 -60.12 -22.28 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -72.92 -22.18 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.58 -17.28 13.77 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.896 HG21 ' HB2' ' A' ' 63' ' ' LEU . 31.8 mm -70.37 107.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.29 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.27 -7.38 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -124.77 130.34 52.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.425 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.99 -36.28 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.99 -34.85 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.067 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.787 ' HB3' HD12 ' A' ' 57' ' ' ILE . 7.3 mm-40 -64.25 -49.3 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.501 0.667 . . . . 0.0 109.897 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.896 ' HB2' HG21 ' A' ' 57' ' ' ILE . 13.0 tp -64.67 -44.69 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.38 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.85 -44.62 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.41 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -63.99 -50.71 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.287 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -56.93 -42.32 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.627 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.732 ' HZ3' HD11 ' B' ' 393' ' ' ILE . 0.2 OUTLIER -70.54 -37.66 74.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.624 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -59.93 -41.55 92.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.045 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.47 HG22 HG21 ' A' ' 20' ' ' ILE . 36.4 mt -72.71 -50.22 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.387 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.4 tp -59.81 -39.44 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -36.74 73.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.19 -50.83 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.652 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.65 -36.99 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.977 ' HA ' HD23 ' A' ' 77' ' ' LEU . 74.8 mt -68.6 -47.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -63.7 -36.2 83.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.353 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.761 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 11.2 ttt180 -71.07 -46.19 62.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -55.75 -34.08 64.88 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.498 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.3 t -92.13 -36.86 13.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -85.21 -72.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.761 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 38.9 m-85 -65.4 -51.31 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.073 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -74.65 -33.37 62.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m170 58.84 36.63 24.79 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.069 0.938 . . . . 0.0 108.54 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.746 HG13 ' HG3' ' A' ' 112' ' ' PRO . 1.0 OUTLIER -91.04 -13.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 113.812 -1.54 . . . . 0.0 111.431 -177.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.481 HD13 HD11 ' A' ' 77' ' ' LEU . 20.2 tp -89.16 141.04 28.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.323 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.918 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.6 mp -108.26 136.37 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -133.01 117.72 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.21 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.691 ' O ' ' HB ' ' A' ' 88' ' ' THR . 48.7 mt -153.11 -161.89 1.37 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.694 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 1.1 t 163.04 6.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.979 0.512 . . . . 0.0 111.136 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.694 ' HG3' ' O ' ' A' ' 88' ' ' THR . 2.3 pp0? 47.5 25.11 0.58 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.679 1.192 . . . . 0.0 113.739 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.4 113.48 8.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.23 -52.6 4.32 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.562 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.54 HD21 HG22 ' A' ' 88' ' ' THR . 1.3 pp -81.82 12.62 3.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.333 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -151.68 -56.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.422 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.07 169.47 32.0 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.954 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 m -104.2 91.11 3.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.054 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -72.04 126.08 28.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -93.55 -40.33 10.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.375 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.18 -26.58 30.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.515 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.615 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 11.7 t -76.44 153.54 35.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -52.51 -48.32 66.09 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.601 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m 54.08 40.16 31.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.404 0.621 . . . . 0.0 110.946 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -75.37 -24.2 57.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.484 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -73.12 143.93 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 111.366 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.64 -22.7 2.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.495 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -101.1 149.39 36.21 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.934 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.7 166.65 19.34 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 121.578 1.519 . . . . 0.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -112.49 136.57 51.84 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.071 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.537 HD11 HD11 ' B' ' 382' ' ' LEU . 68.7 mt -96.25 136.53 36.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 112.476 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.918 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -145.93 142.47 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.005 178.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.63 103.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.555 ' ND2' HD11 ' A' ' 28' ' ' LEU . 18.6 m120 -143.91 70.1 16.7 Favored Pre-proline 0 CA--C 1.507 -0.69 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.417 176.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.746 ' HG3' HG13 ' A' ' 83' ' ' VAL . 23.7 Cg_endo -94.82 11.75 1.59 Allowed 'Trans proline' 0 N--CA 1.442 -1.549 0 N-CA-C 107.117 -1.916 . . . . 0.0 107.117 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 60.16 55.53 3.64 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -35.85 130.51 0.59 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 112.54 -2.118 . . . . 0.0 113.007 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.667 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -96.45 -168.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.846 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER 73.86 131.22 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.987 0.898 . . . . 0.0 111.81 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -133.72 -32.97 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.702 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.276 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.789 0.328 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.07 136.37 44.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.1 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 108' ' ' LEU . 5.8 mp 55.48 55.16 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.531 0.52 . . . . 0.0 110.858 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -72.11 -65.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -120.96 39.33 2.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.522 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.412 HG21 HD23 ' B' ' 382' ' ' LEU . 29.1 m -69.54 160.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.722 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.792 ' HA ' HD23 ' B' ' 389' ' ' LEU . 17.1 m 74.68 -33.37 0.24 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.58 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.16 -31.69 72.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.084 0.468 . . . . 0.0 110.635 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.69 -28.44 66.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.792 HD23 ' HA ' ' B' ' 386' ' ' SER . 1.4 mm? -67.48 -42.88 82.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.048 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.574 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 15.2 tp -79.48 -22.31 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.487 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.623 ' HG3' ' HD3' ' B' ' 394' ' ' ARG . 31.7 tt0 -64.59 -24.28 67.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.065 0.46 . . . . 0.0 110.009 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.497 HH22 ' CD ' ' A' ' 54' ' ' GLU . 58.1 ttt180 -61.63 -28.97 69.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 109.637 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.732 HD11 ' HZ3' ' A' ' 67' ' ' LYS . 1.5 mp -61.22 -31.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.981 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.623 ' HD3' ' HG3' ' B' ' 391' ' ' GLU . 19.4 mtp180 -70.11 -25.41 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -90.25 -39.15 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -80.74 -7.37 59.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.318 -179.029 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.89 -31.35 70.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.22 74.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -74.5 -41.76 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.072 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.752 ' HA ' ' HE2' ' B' ' 400' ' ' LYS . 2.6 mmpt? -74.21 -12.11 60.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -68.89 -34.58 75.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 47.8 mt -90.0 -61.47 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.717 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 55.44 -138.74 1.03 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.54 -54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.21 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 10.9 ttt -106.33 -45.37 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 111.525 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 6.5 m -141.43 144.08 34.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -69.81 158.8 34.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.215 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.85 113.02 2.18 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.835 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 19.0 ttpt -127.66 -68.4 0.78 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.238 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.17 147.1 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.757 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -122.5 -43.85 2.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.6 4.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 44.5 ttm105 -79.22 -62.1 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.177 -0.327 . . . . 0.0 111.296 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -149.15 140.34 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.47 64.83 2.29 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 10.5 p90 -142.7 32.68 1.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -60.33 -48.21 82.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.02 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.41 -34.46 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.238 0.542 . . . . 0.0 109.753 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 63.6 m-85 -62.11 -49.25 76.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.799 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 m -54.89 -43.21 73.0 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.414 0.446 . . . . 0.0 111.704 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 19.5 mmm-85 -62.21 -49.67 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.182 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 1.7 mp -66.54 -45.85 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 m -57.08 -42.49 80.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.47 -37.55 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.59 -41.21 89.75 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -63.37 -47.99 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.185 179.383 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.77 -50.86 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.326 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.98 -50.84 71.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -66.11 -35.57 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.705 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -45.95 88.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -59.78 -36.55 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.281 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.48 -55.55 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.19 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.96 -38.64 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -67.22 -31.99 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 111.341 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.43 -31.73 42.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.781 0.324 . . . . 0.0 110.977 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -88.82 -66.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 37' ' ' GLU . 14.7 pt-20 -101.54 -16.99 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.674 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 32.8 t70 64.15 32.18 12.79 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.43 0.633 . . . . 0.0 109.961 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 43.1 mt-10 -145.73 111.11 5.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.868 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -106.85 13.08 28.23 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.788 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.666 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -83.86 154.44 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.669 0.271 . . . . 0.0 111.619 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.81 86.19 0.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -175.17 29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.537 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -57.59 -62.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.793 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -79.61 -31.3 41.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.12 -40.8 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.525 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 74' ' ' ILE . 16.2 tp -54.83 -56.37 20.19 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.516 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 46' ' ' VAL . 1.1 p -68.64 -32.63 55.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -59.29 -57.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.726 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -67.54 -35.12 78.46 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.637 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 15.9 t80 -52.13 -51.4 58.15 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.174 0.511 . . . . 0.0 110.934 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.863 HD13 ' HE2' ' A' ' 67' ' ' LYS . 5.8 mt -75.67 -42.74 50.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.691 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.65 -30.96 69.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -78.6 -36.87 43.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.623 0.249 . . . . 0.0 111.168 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.5 pt -90.9 -7.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mt-10 -56.06 -18.31 9.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 111.696 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -36.89 74.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.356 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.42 -15.95 28.12 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.36 0.6 . . . . 0.0 109.502 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 62' ' ' GLU . 33.5 mm -81.91 89.31 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.409 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 30.3 t70 -90.9 -9.57 45.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.732 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.9 t -119.54 141.78 48.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -60.88 -37.1 81.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.9 -39.45 77.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 57' ' ' ILE . 6.0 mm-40 -63.26 -45.38 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' HE2' ' B' ' 396' ' ' LYS . 23.3 tp -66.65 -44.47 81.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.715 ' HA ' HD11 ' B' ' 390' ' ' LEU . 61.2 mt -64.29 -37.46 79.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.113 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.9 t30 -65.2 -55.1 20.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.582 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' O ' HG22 ' A' ' 70' ' ' ILE . 6.2 mmtm -61.74 -47.44 85.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.883 ' HD2' HD12 ' B' ' 390' ' ' LEU . 12.6 ttmm -62.08 -48.34 80.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.496 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' HG2' ' A' ' 71' ' ' GLU . 68.5 mtt180 -63.75 -24.94 67.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 65' ' ' ASN . 28.3 mm -78.92 -47.56 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.771 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.7 tp -70.65 -36.87 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' A' ' 68' ' ' ARG . 13.8 pt-20 -68.33 -34.31 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 110.111 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -74.11 -47.02 39.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 70' ' ' ILE . 27.2 m -61.04 -36.61 73.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.932 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 45' ' ' LEU . 70.1 mt -64.91 -44.02 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.891 0.377 . . . . 0.0 110.463 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.03 -36.17 74.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.16 0.505 . . . . 0.0 109.93 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -70.64 -35.96 73.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.786 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.021 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 62.0 tp -58.42 -43.04 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.979 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.63 4.92 26.33 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -134.7 -50.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -102.14 -41.81 6.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 1.021 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 11.0 m-20 -64.05 -49.77 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 24.7 m80 68.27 19.65 8.97 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 0.0 111.164 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 114' ' ' TYR . 51.6 t -85.73 -16.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.77 0.795 . . . . 0.0 110.143 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 108' ' ' LEU . 8.6 tt -90.84 136.4 33.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.002 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.813 ' HB ' HG13 ' A' ' 109' ' ' VAL . 5.1 mp -102.02 131.34 50.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.466 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -136.97 140.4 42.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.838 0.352 . . . . 0.0 110.612 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.29 -126.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.8 t -148.55 151.56 35.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -88.48 -4.22 58.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.22 0.533 . . . . 0.0 109.883 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.82 130.42 39.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.97 12.48 63.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.811 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.86 -68.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.07 -0.49 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.99 -74.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.336 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m 60.46 18.6 8.35 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.031 0.532 . . . . 0.0 111.85 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 45.45 77.64 0.07 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.376 0.671 . . . . 0.0 112.333 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 56.35 82.13 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.622 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.51 -62.24 2.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.7 m 64.37 -72.02 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.731 0.813 . . . . 0.0 112.444 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 13.2 mt-10 -84.88 154.28 22.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.024 0.44 . . . . 0.0 111.532 -178.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.9 m -140.1 45.01 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.606 0.717 . . . . 0.0 109.616 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.502 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 51.1 p90 -87.75 -28.23 21.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.793 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.87 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -100.71 156.07 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.729 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.08 144.11 27.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.92 -171.98 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.414 2.076 . . . . 0.0 111.417 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -63.76 104.14 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.744 0.307 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.666 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 54.6 mt -92.6 118.99 31.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 120.924 0.392 . . . . 0.0 110.646 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.813 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -121.08 146.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.724 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.56 146.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.581 0.229 . . . . 0.0 110.99 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.49 158.21 36.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.423 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.78 -2.68 8.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.088 2.525 . . . . 0.0 113.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -85.35 23.81 1.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.767 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.754 ' HA ' HG21 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -64.1 -52.5 58.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.02 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.585 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -148.53 -176.38 5.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.5 mt -102.0 1.37 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.211 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.98 -36.79 29.64 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.68 0.613 . . . . 0.0 110.178 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.874 179.688 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -139.58 122.72 16.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.89 0.376 . . . . 0.0 110.707 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.22 131.15 55.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -133.3 -62.33 0.79 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 72.0 -103.15 1.25 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.697 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.99 103.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 0.0 110.607 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.31 -81.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.271 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -57.93 -26.55 62.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -26.14 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -30.42 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.3 tp -76.07 -12.24 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.36 -24.88 63.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.416 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.42 ' NH2' HE22 ' B' ' 399' ' ' GLN . 19.4 tpt180 -66.34 -30.32 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 8.3 mt -66.55 -21.42 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.473 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' B' ' 394' ' ' ARG . 3.5 mmp_? -65.04 -26.78 68.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.024 0.44 . . . . 0.0 110.182 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.32 -23.74 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.785 ' HE2' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -58.88 -30.85 68.06 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.387 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.85 -55.87 19.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.918 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -70.53 -39.05 74.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.181 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 399' ' ' GLN . . . . . 0.42 HE22 ' NH2' ' B' ' 392' ' ' ARG . 99.4 mt-30 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.146 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 58' ' ' ASP . 62.9 tttm -75.12 -43.9 50.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.684 0.278 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.03 -31.63 70.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.772 0.796 . . . . 0.0 109.914 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.25 25.57 4.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.05 75.81 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.469 0.652 . . . . 0.0 111.154 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.18 -43.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.208 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 66.1 mtt -99.55 -45.45 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.49 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.2 m 59.15 48.0 11.06 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.509 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -130.42 24.0 5.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.264 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 7.7 t90 . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.08 -179.136 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.59 -32.36 95.9 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.771 2.314 . . . . 0.0 112.331 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -92.24 172.31 8.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.31 132.39 39.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.508 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -117.13 103.67 10.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.143 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt 50.05 82.11 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.881 0.738 . . . . 0.0 111.503 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -112.67 -74.12 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.68 125.68 29.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.482 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.1 5.71 89.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.047 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -126.06 22.78 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.0 110.581 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -39.84 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.143 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.42 -40.48 81.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.37 -45.84 83.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -58.93 -42.02 88.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.76 -49.34 77.89 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.034 0.445 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.99 -46.06 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.608 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 m -56.7 -41.76 77.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -63.58 -45.85 88.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.747 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.16 -40.41 81.31 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.282 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -62.88 -52.37 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.767 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 m -71.14 -36.36 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.608 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 20.5 mt -61.84 -51.1 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.644 0.259 . . . . 0.0 111.297 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.6 t-80 -64.35 -44.53 91.2 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' HG13 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -60.55 -46.77 88.98 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.8 ptm180 -63.76 -32.87 74.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.626 0.251 . . . . 0.0 111.141 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.52 -39.65 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 0.0 109.45 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 HD11 ' A' ' 40' ' ' LEU . 45.1 t -63.57 -51.78 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.078 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.9 pt-20 -63.15 -28.35 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.746 0.308 . . . . 0.0 111.301 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.76 -47.22 55.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.432 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -95.21 -68.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 13.1 mt-10 -67.2 -35.18 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.59 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.5 t70 76.98 -30.22 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 111.246 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.14 82.62 8.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -72.7 33.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.117 -179.093 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.38 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.906 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mt 57.99 -136.68 0.95 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.957 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HB3' ' HB2' ' A' ' 44' ' ' GLU . 8.2 tptm -141.25 134.96 30.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.491 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -54.57 -49.88 69.31 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 t -71.27 -28.5 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.604 0.24 . . . . 0.0 111.08 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 41' ' ' LYS . 19.6 tt0 -66.07 -34.74 78.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.051 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 46.9 mt -58.09 -50.16 74.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.087 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.796 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.58 -33.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.571 179.211 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -49.76 -59.2 4.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CH2' HD23 ' A' ' 23' ' ' LEU . 44.7 p-90 -70.03 -29.23 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.421 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -57.43 -47.84 80.71 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.992 HD22 ' HG2' ' A' ' 67' ' ' LYS . 1.9 mt -66.22 -40.61 90.42 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.142 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HE2' ' NH1' ' B' ' 392' ' ' ARG . 17.7 mmtt -58.18 -31.39 67.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.402 0.62 . . . . 0.0 111.655 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -85.94 -43.73 12.96 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.068 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 57' ' ' ILE . 32.2 pt -77.16 -20.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.754 0.311 . . . . 0.0 111.426 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 14.4 pt-20 -69.26 -9.17 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.164 0.506 . . . . 0.0 111.459 -178.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -81.22 -22.9 38.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.067 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.85 -29.52 10.46 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 63' ' ' LEU . 47.7 mm -59.42 111.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.254 0.55 . . . . 0.0 111.64 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' HE2' ' B' ' 400' ' ' LYS . 27.4 t70 -108.65 -17.14 14.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.132 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -114.16 130.32 56.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.375 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' A' ' 64' ' ' ILE . 28.7 tt0 -53.84 -38.86 65.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.366 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -58.06 -39.4 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.718 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB2' HG23 ' A' ' 57' ' ' ILE . 78.8 mm-40 -65.41 -44.21 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.527 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.79 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.0 tp -63.6 -48.17 78.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.243 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.684 ' HA ' HD11 ' B' ' 390' ' ' LEU . 51.7 mt -59.35 -40.96 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.834 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.1 t30 -60.64 -57.02 14.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.542 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 70' ' ' ILE . 38.2 mmtm -56.23 -47.26 78.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.992 ' HG2' HD22 ' A' ' 50' ' ' LEU . 76.5 mttt -65.86 -34.64 78.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -74.38 -38.27 63.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.67 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 65' ' ' ASN . 41.2 mm -68.46 -49.54 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.392 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.524 HG12 ' HB ' ' A' ' 46' ' ' VAL . 7.7 tp -58.64 -44.44 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.526 0.203 . . . . 0.0 110.866 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.14 -44.71 94.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 110.057 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.6 -44.99 85.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.903 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.1 t -63.06 -42.66 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.428 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.5 mt -60.89 -43.63 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -65.97 -37.1 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.43 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.615 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 13.2 ttm180 -70.65 -41.58 71.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.49 -33.48 76.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.786 HG22 ' HG ' ' A' ' 84' ' ' LEU . 8.4 p -86.76 4.23 41.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -60.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 74.5 m-85 -72.98 -55.67 6.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.875 0.369 . . . . 0.0 111.585 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.795 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.61 -45.56 89.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.779 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 65.25 26.21 12.24 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.378 0.608 . . . . 0.0 110.473 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 81' ' ' ASP . 26.9 m -94.97 13.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.559 0.695 . . . . 0.0 109.877 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.786 ' HG ' HG22 ' A' ' 78' ' ' THR . 1.3 tm? -90.28 126.57 35.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.797 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.855 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.0 mt -97.73 126.1 50.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.51 143.29 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.094 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.5 mt -103.73 -83.63 0.48 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.111 0.481 . . . . 0.0 110.585 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -137.87 151.58 48.18 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.821 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.97 -22.35 17.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.689 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.8 131.47 37.61 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA2' ' OG ' ' A' ' 99' ' ' SER . . . 105.04 -8.6 45.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.579 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.72 18.74 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.006 0.432 . . . . 0.0 110.974 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -117.2 -53.28 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 157.75 77.95 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.085 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.9 t -80.11 135.05 36.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.604 0.24 . . . . 0.0 110.787 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -74.8 -40.24 61.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.43 -17.16 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.59 114.04 2.37 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.714 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.467 ' OG ' ' HA2' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -97.25 166.41 11.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.767 0.318 . . . . 0.0 110.363 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.587 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 29.3 mt-10 -84.69 96.98 9.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.978 0.418 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.11 17.15 3.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.787 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 17.9 p90 -64.92 -25.0 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.83 156.71 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.76 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -64.08 143.58 57.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.745 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.506 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 7.8 p-10 -78.69 125.86 83.58 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 105' ' ' ASP . 1.9 Cg_endo -83.0 -67.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.257 2.638 . . . . 0.0 112.483 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 105' ' ' ASP . 53.8 m-85 62.89 -148.52 0.35 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 84' ' ' LEU . 1.4 mm? -104.74 124.3 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.158 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.855 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -137.67 139.3 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.504 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG13 ' HG ' ' A' ' 28' ' ' LEU . 3.9 p -102.5 143.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.825 0.345 . . . . 0.0 111.238 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.08 149.16 82.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.592 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.13 1.61 7.03 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.46 2.107 . . . . 0.0 111.387 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.19 90.01 3.25 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.467 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.442 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 8.7 t80 -106.59 130.73 54.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -116.57 173.96 6.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.139 0.495 . . . . 0.0 111.486 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -96.59 167.64 11.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.404 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.44 -67.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.596 ' HB2' HD13 ' A' ' 116' ' ' LEU . 24.9 t0 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.089 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.553 0.216 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -125.26 111.24 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.605 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 382' ' ' LEU . 12.2 mt -72.95 144.7 47.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.436 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 65.65 -90.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.208 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 83.28 -60.51 4.88 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.435 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.39 103.83 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.301 0.572 . . . . 0.0 111.445 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 22.1 m -135.0 -64.43 0.66 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' B' ' 391' ' ' GLU . 29.4 pt20 -72.18 -23.63 61.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.259 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.86 -37.27 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.525 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 46' ' ' VAL . 1.5 mm? -69.24 -34.46 74.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.175 0.512 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.1 mp -81.62 -15.84 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.027 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 98.6 mt-10 -64.17 -13.2 46.86 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 111.566 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.661 ' NH1' ' HE2' ' A' ' 51' ' ' LYS . 25.5 ttm180 -84.32 -20.78 31.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.603 0.716 . . . . 0.0 110.09 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.651 HD12 ' HG ' ' B' ' 390' ' ' LEU . 10.7 mt -69.2 -33.46 58.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.094 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 13.2 ptp180 -59.65 -23.59 63.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.574 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -83.23 -31.97 26.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.434 ' HD2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.0 -24.69 60.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.006 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 401' ' ' GLN . 31.7 tt0 -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.957 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.49 74.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 399' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' B' ' 402' ' ' LEU . 2.5 tm0? -68.1 -39.68 82.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.22 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' A' ' 58' ' ' ASP . 36.1 tptt -71.3 -28.37 64.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.413 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 401' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' B' ' 397' ' ' GLU . 46.6 mt-30 -65.53 -14.06 60.23 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.985 0.422 . . . . 0.0 110.736 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' B' ' 399' ' ' GLN . 4.0 mp -70.62 -9.92 58.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.902 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -71.27 -26.65 62.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.789 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.69 131.19 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.601 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 48.1 ttm -73.93 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -63.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.237 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -118.04 -30.21 5.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.435 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 45.8 t90 . . . . . 0 C--O 1.25 1.081 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.164 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.422 0.154 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.06 104.71 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.657 2.238 . . . . 0.0 112.046 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -78.63 99.84 6.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.53 -99.26 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.97 0.794 . . . . 0.0 112.434 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m 68.72 -69.9 0.14 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.753 0.658 . . . . 0.0 111.266 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD11 ' HG ' ' A' ' 116' ' ' LEU . 38.8 mt -95.23 104.27 16.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -153.47 -56.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.012 0.434 . . . . 0.0 110.376 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -101.67 -46.54 4.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.312 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.69 137.64 13.38 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HE1' ' HB3' ' A' ' 10' ' ' LEU . 67.8 m-85 -135.69 -50.19 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.6 -39.37 87.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -55.54 -50.98 68.59 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.328 0.585 . . . . 0.0 109.681 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -58.48 -46.3 86.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.724 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -56.17 -45.97 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.687 0.279 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -67.47 -32.96 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.388 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.14 -51.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 25' ' ' VAL . 13.7 m -59.27 -37.45 77.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.13 -36.62 75.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.77 -48.15 80.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' HG11 ' A' ' 110' ' ' VAL . 10.7 tp -70.93 -38.18 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.207 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 21' ' ' SER . 59.8 t -66.56 -47.04 84.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.421 . . . . 0.0 110.059 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.08 -40.31 90.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.123 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -61.82 -41.58 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.38 -45.38 69.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.595 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 85.1 mtt180 -58.67 -34.09 70.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.033 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -71.85 -46.68 57.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 28' ' ' LEU . 25.9 m -73.4 -33.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.765 ' HA ' ' H ' ' A' ' 37' ' ' GLU . 5.5 pt-20 -69.52 -29.31 66.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.46 -39.63 52.75 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.028 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -88.34 -69.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' HB2' ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -97.05 4.19 51.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.5 m-20 60.19 66.07 1.01 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.634 0.584 . . . . 0.0 111.921 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.765 ' H ' ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt-10 69.26 98.64 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.666 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 35' ' ' GLU . 8.4 m -108.16 16.39 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.78 -159.76 0.31 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.812 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 169.39 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' ' 44' ' ' GLU . 39.0 ttmt -108.32 138.13 45.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 74' ' ' ILE . 50.8 ttt180 -52.23 -61.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 2.5 m -73.82 -30.15 62.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.89 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 37.1 tt0 -64.64 -42.95 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.276 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -50.57 -53.53 29.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 O-C-N 123.471 0.482 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.822 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.64 -37.46 56.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.566 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 43' ' ' SER . 53.3 t30 -52.26 -53.12 47.91 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -70.24 -28.62 65.39 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.651 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CD1' HD13 ' A' ' 23' ' ' LEU . 36.0 t80 -60.6 -49.57 77.01 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.822 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 10.2 mt -59.92 -47.53 85.41 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.124 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' ' HE ' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -55.42 -28.51 54.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -82.85 -37.63 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.704 ' O ' HG12 ' A' ' 57' ' ' ILE . 29.4 pt -90.78 -21.1 6.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.909 ' HG2' HD21 ' A' ' 63' ' ' LEU . 56.7 mt-10 -60.42 -21.99 62.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -29.54 40.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.49 -35.34 12.34 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.054 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.919 HG21 ' HB2' ' A' ' 63' ' ' LEU . 41.1 mm -56.5 118.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.186 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.55 -24.6 14.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.591 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.1 m -113.59 129.57 56.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.363 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.59 -36.87 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.487 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.02 -49.08 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.444 0.465 . . . . 0.0 111.092 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 57' ' ' ILE . 65.7 mm-40 -59.83 -50.58 73.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.919 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -63.08 -52.84 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.642 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 HD21 ' B' ' 390' ' ' LEU . 46.6 mt -57.49 -38.5 63.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 123.319 0.387 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.31 -47.35 79.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.074 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -58.65 -41.39 85.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.926 ' HD2' HD12 ' B' ' 390' ' ' LEU . 43.8 mttt -68.29 -32.06 71.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 29.7 mtm180 -68.67 -41.7 78.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.0 mm -72.16 -44.32 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.595 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.1 tp -64.04 -41.62 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -32.01 68.9 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.062 -0.399 . . . . 0.0 110.311 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.83 -46.76 70.9 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.35 -39.71 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.657 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 42' ' ' ARG . 73.1 mt -66.24 -45.88 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -64.8 -32.17 73.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.475 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -75.15 -45.86 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.429 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.586 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -57.08 -46.59 82.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.273 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.629 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.9 t -82.45 4.45 24.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -138.03 -69.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.392 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 94.1 m-85 -66.04 -44.75 83.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.586 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 29.1 m-20 -79.81 -53.63 6.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.812 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t60 64.91 26.18 12.8 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.9 13.6 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.929 0.871 . . . . 0.0 110.123 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 78' ' ' THR . 2.3 pt? -94.42 163.05 13.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.585 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.824 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.0 mt -123.75 144.29 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -135.76 124.21 23.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.6 mt -79.17 175.15 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.829 0.347 . . . . 0.0 110.708 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 67.5 p -100.93 121.49 41.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.644 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -52.96 -29.76 30.79 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.629 0.58 . . . . 0.0 111.303 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.54 103.01 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.09 -55.21 5.0 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.66 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 88' ' ' THR . 15.2 mt 61.11 37.95 17.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.472 0.654 . . . . 0.0 110.587 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -120.51 145.99 46.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.543 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.6 -169.65 51.07 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.883 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -124.58 -12.36 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.729 0.3 . . . . 0.0 110.725 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.78 152.52 39.01 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.34 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -82.46 158.62 23.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.236 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.69 177.73 47.52 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 m 62.68 -163.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.753 ' HB2' ' HD2' ' A' ' 102' ' ' TYR . 46.1 mt-10 -116.61 -22.13 8.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.368 -0.207 . . . . 0.0 110.916 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 m 60.87 34.4 19.63 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.55 0.69 . . . . 0.0 110.402 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.753 ' HD2' ' HB2' ' A' ' 100' ' ' GLU . 46.3 p90 -79.53 -16.37 56.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.824 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.17 -156.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.73 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.55 159.85 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.663 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.78 134.87 90.11 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -87.35 -153.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 123.45 2.767 . . . . 0.0 113.204 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.97 145.1 25.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 84' ' ' LEU . 1.8 mm? -102.77 127.8 49.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.09 0.472 . . . . 0.0 110.77 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.824 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -127.91 139.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 24' ' ' ILE . 10.6 p -105.21 142.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.906 0.384 . . . . 0.0 111.111 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.431 ' OD1' ' HD2' ' A' ' 112' ' ' PRO . 61.5 t30 -75.77 126.28 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.431 ' HD2' ' OD1' ' A' ' 111' ' ' ASN . 12.7 Cg_endo -56.79 -16.64 20.49 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.982 2.455 . . . . 0.0 112.371 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.74 61.67 6.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.99 142.59 30.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.912 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -73.37 -168.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.544 0.211 . . . . 0.0 111.3 -179.729 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.746 HD13 HD23 ' A' ' 115' ' ' LEU . 4.2 mp 65.97 179.97 0.2 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.03 -55.59 2.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.055 0.455 . . . . 0.0 110.129 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.411 179.742 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.51 0.195 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 59.1 68.53 0.8 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.309 0.576 . . . . 0.0 110.583 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' B' ' 387' ' ' GLN . 3.1 mp -96.17 18.38 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.933 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.55 124.07 25.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.032 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 102.25 -0.74 50.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.11 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' ' 68' ' ' ARG . 9.5 p -132.96 143.37 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.011 0.405 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 69.4 m -72.76 103.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.457 ' HB3' HD23 ' B' ' 382' ' ' LEU . 1.9 pm0 -64.47 -19.05 65.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 0.2 OUTLIER -57.74 -51.5 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.419 178.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 46' ' ' VAL . 53.8 mt -85.0 -17.83 36.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.47 0.652 . . . . 0.0 110.583 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.926 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.1 tp -86.31 -5.96 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.152 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' B' ' 388' ' ' ASP . 13.4 pt-20 -54.86 -29.98 56.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.375 0.607 . . . . 0.0 110.592 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.479 ' HE ' ' HE2' ' A' ' 51' ' ' LYS . 1.9 tpp180 -63.61 -41.36 98.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.074 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 9.8 mt -66.92 -26.73 37.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.938 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.38 -37.9 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.28 -32.81 29.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.168 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 39.7 tttp -60.46 -30.55 69.74 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.661 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.12 -42.01 76.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.155 0.502 . . . . 0.0 110.109 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 398' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' B' ' 402' ' ' LEU . . . -66.44 -38.37 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.335 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.47 -41.5 98.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.458 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -69.32 -36.28 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.351 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.78 -22.26 61.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 398' ' ' ALA . 33.8 mt -64.84 -14.52 59.66 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 0.0 110.268 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -128.5 93.65 3.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.987 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 68.6 mtt -87.71 -57.88 2.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.157 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 17.1 m -153.75 135.56 14.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.144 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -89.93 99.81 12.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.0 110.002 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.851 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.9 -19.56 10.88 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.374 2.049 . . . . 0.0 112.401 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -127.47 155.73 43.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.948 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.79 73.14 0.47 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.74 0.65 . . . . 0.0 111.347 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.9 m -124.07 163.09 22.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 66.72 25.51 9.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.752 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -146.13 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 110.633 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -84.32 -62.74 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.22 135.6 5.44 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.742 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 19.1 p90 -159.89 39.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -56.99 -39.33 74.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.461 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.3 pm0 -74.71 -32.28 62.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 30.9 m-85 -67.17 -40.23 86.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.019 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -59.49 -40.27 86.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.76 -51.02 68.74 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.84 -47.91 91.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.037 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -64.15 -37.01 85.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 109.851 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.79 -40.78 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.696 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.5 mm -60.59 -52.43 61.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.484 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.66 -35.88 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 11.4 mt -59.08 -48.54 81.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.1 t-80 -70.14 -42.9 71.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 HG13 ' A' ' 110' ' ' VAL . 59.7 tp -60.01 -49.78 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.6 ptm180 -57.66 -32.26 67.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.119 0.485 . . . . 0.0 111.172 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 3.0 mmmp? -73.15 -47.3 45.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 27' ' ' HIS . 76.1 t -59.41 -46.77 92.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.854 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 12.8 pt-20 -64.98 -27.96 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.276 . . . . 0.0 111.073 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -71.87 -46.3 58.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.603 0.24 . . . . 0.0 111.389 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.627 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 2.2 pt-20 -89.41 -69.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.627 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 38.8 mt-10 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.655 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 12.9 t70 71.69 -27.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.89 -11.39 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.159 -0.338 . . . . 0.0 111.873 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG12 ' A' ' 31' ' ' VAL . 67.1 m 61.05 17.15 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.11 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -84.0 136.89 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.679 0.276 . . . . 0.0 110.293 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.74 175.68 10.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.935 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 44' ' ' GLU . 28.8 mtmt -107.64 150.76 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.64 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' HA ' ' A' ' 75' ' ' HIS . 46.3 mtp180 -73.25 -59.17 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.183 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -28.89 67.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 37.9 tt0 -66.11 -39.16 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.564 0.221 . . . . 0.0 110.508 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.02 -52.82 59.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.779 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.2 p -72.71 -35.51 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.575 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -52.28 -56.52 14.2 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 37.0 p-90 -71.14 -28.19 64.1 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 53' ' ' ILE . 32.8 t80 -57.0 -46.03 82.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 2.8 mt -71.34 -44.11 65.72 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.834 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 20.6 mmtt -54.07 -29.7 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -84.66 -44.91 13.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.656 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.9 pt -91.35 -11.44 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.7 pt-20 -67.26 -14.67 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.753 -0.592 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -23.73 24.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.038 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 53' ' ' ILE . 4.8 pt-20 -96.58 -20.72 18.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 63' ' ' LEU . 9.2 mm -63.85 112.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.737 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HA ' ' NZ ' ' B' ' 400' ' ' LYS . 37.5 t70 -93.32 -17.73 23.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.202 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -122.63 129.7 52.17 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.687 ' O ' HG12 ' A' ' 64' ' ' ILE . 6.2 tt0 -53.36 -38.73 63.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.304 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.95 -34.17 74.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.842 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.59 -49.22 78.6 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 57' ' ' ILE . 7.9 tp -61.18 -46.15 91.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.255 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 ' O ' ' A' ' 60' ' ' GLU . 6.6 mm -57.06 -52.48 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 109.849 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -50.03 75.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 70' ' ' ILE . 17.7 mmtp -56.85 -45.63 82.3 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.693 ' HA ' HG22 ' A' ' 70' ' ' ILE . 8.3 mtpm? -65.42 -44.76 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.521 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 68' ' ' ARG . 35.6 ttt180 -54.46 -36.86 64.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.39 -50.81 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.6 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.7 tp -58.88 -40.85 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.518 ' HG2' HG21 ' A' ' 46' ' ' VAL . 24.0 mt-10 -75.45 -31.68 60.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.772 -0.58 . . . . 0.0 110.404 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -68.82 -44.67 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.005 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.3 -33.46 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.57 -35.93 74.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 4.5 t60 -71.44 -35.09 70.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 80' ' ' TYR . 16.9 ttm180 -68.21 -42.29 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.871 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -54.94 -38.16 67.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.768 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -12.76 60.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -124.38 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.411 -0.516 . . . . 0.0 112.099 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 89.5 m-85 -55.89 -54.51 43.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.298 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.3 m-20 -70.13 -54.16 14.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.058 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 64.78 24.06 12.78 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.66 0.6 . . . . 0.0 111.218 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 81' ' ' ASP . 19.8 m -91.29 11.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.139 0.495 . . . . 0.0 110.595 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 77' ' ' LEU . 5.5 tp -97.33 127.52 43.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.378 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.914 ' HB ' HG13 ' A' ' 109' ' ' VAL . 9.3 mt -94.0 127.8 45.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.319 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -124.92 141.18 52.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.4 mt -120.05 -168.92 1.7 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.389 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.645 HG21 ' H ' ' A' ' 99' ' ' SER . 11.1 p -95.41 -163.29 1.03 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.171 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.86 4.65 7.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.842 0.353 . . . . 0.0 110.48 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.01 115.43 30.05 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.34 -60.75 3.94 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.183 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.465 HD21 ' O ' ' A' ' 88' ' ' THR . 9.9 mt 55.33 62.9 2.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.447 0.641 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -136.15 -41.89 0.65 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.24 140.54 14.08 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.07 -11.31 41.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 0.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.523 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.17 -23.08 63.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' HG2' HG23 ' A' ' 96' ' ' THR . 40.3 mm-40 -116.3 169.95 8.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.6 133.7 2.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.767 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.645 ' H ' HG21 ' A' ' 88' ' ' THR . 8.5 t -91.02 -132.3 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.676 0.274 . . . . 0.0 110.491 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 101' ' ' SER . 1.7 mm-40 -90.95 -89.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 100' ' ' GLU . 1.5 m 53.34 44.47 30.04 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.253 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -107.55 -14.94 14.72 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -72.29 -44.58 62.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -142.45 171.85 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.733 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.8 123.89 65.2 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.34 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.27 -84.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.804 2.336 . . . . 0.0 111.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -120.98 116.63 25.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 85.4 mt -110.2 132.93 53.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.723 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.914 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.68 138.54 53.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.489 HG13 HD22 ' A' ' 28' ' ' LEU . 8.1 p -109.01 141.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.959 0.409 . . . . 0.0 110.596 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.2 m-20 -84.22 139.12 39.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.284 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 16.5 Cg_exo -68.26 0.99 3.88 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.258 2.639 . . . . 0.0 113.169 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -85.99 20.59 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -63.22 124.75 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.542 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -107.27 169.47 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.58 -155.03 0.43 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . 7.9 mm-40 -73.92 -15.51 61.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.09 179.736 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.912 0.387 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -147.41 172.04 14.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.62 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.71 166.09 23.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.597 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -150.89 -173.27 4.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.246 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -82.86 -161.05 29.77 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.842 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.49 104.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.538 0.209 . . . . 0.0 110.666 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.485 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 3.1 m -161.95 -44.85 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.459 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.664 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -40.52 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.354 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.55 -28.21 61.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.676 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.555 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 17.3 tp -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 3.4 tt0 -66.73 -23.08 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -67.83 -21.59 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.451 0.643 . . . . 0.0 109.647 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HG2' ' B' ' 396' ' ' LYS . 1.6 mp -65.4 -42.36 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 2.1 ptm180 -71.15 -17.94 62.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.956 0.408 . . . . 0.0 110.439 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.24 -37.33 18.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.337 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -82.07 -3.4 54.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -54.54 -50.58 67.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.84 70.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.357 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.18 -41.69 96.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.524 ' HA ' ' HD2' ' B' ' 400' ' ' LYS . 13.7 mmmt -67.23 -10.1 47.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.154 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -78.39 -32.25 48.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.28 -34.44 10.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -79.75 102.27 8.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.24 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.07 167.14 20.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.866 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 28.2 ttt -87.2 -23.44 24.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 89.1 m -152.76 124.28 7.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.798 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -119.34 -11.15 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.626 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.494 0.187 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.16 133.28 37.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.813 2.342 . . . . 0.0 111.96 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -97.75 -24.38 15.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.45 117.57 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.618 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.4 t -77.03 -86.66 0.05 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.915 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD22 ' HB2' ' A' ' 117' ' ' GLU . 35.3 mt -85.17 -28.72 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -169.33 168.15 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -31.06 69.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.83 86.41 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.632 ' HE2' ' H ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -109.21 34.3 3.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.848 0.356 . . . . 0.0 111.422 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -54.16 -41.55 68.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.531 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.04 -41.73 70.42 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 24.4 t80 -58.49 -41.34 85.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.031 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.1 m -61.68 -36.84 82.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.05 -47.13 81.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.314 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.28 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -58.38 -44.77 89.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.67 -42.38 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.24 -42.06 85.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.865 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -61.94 -47.19 94.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.23 -49.51 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.05 -46.67 88.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.469 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -59.85 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.2 tm? -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -56.37 -44.65 80.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.07 0.462 . . . . 0.0 110.603 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 9.5 mmmm -69.76 -41.01 75.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 40' ' ' LEU . 41.1 t -63.66 -45.91 96.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.17 -28.33 65.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -85.55 -39.54 17.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -88.75 -61.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.68 -29.26 36.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 70.06 16.82 7.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -134.39 95.12 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.589 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.664 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -74.08 13.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.322 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 99.01 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.04 -173.91 3.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 0.0 111.717 -179.068 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -92.16 129.82 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.481 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.75 -40.72 98.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.936 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -66.61 -28.65 68.67 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.998 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -72.78 -34.98 67.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.96 -45.41 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.692 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 26.1 t -70.93 -35.89 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.328 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -55.59 -58.0 9.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.44 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.402 ' CH2' HD23 ' A' ' 23' ' ' LEU . 29.5 p-90 -69.77 -28.87 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.663 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 18.5 t80 -58.45 -49.04 78.75 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 13.2 mt -64.17 -41.44 97.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.718 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 22.8 mmtt -61.05 -38.7 87.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.849 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.16 -35.65 64.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.3 pt -88.79 -8.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.62 -30.0 60.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.777 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -23.59 44.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.112 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 11.6 pt-20 -91.81 -20.11 21.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 0.0 110.258 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 53' ' ' ILE . 44.3 mm -67.29 109.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -102.3 -15.5 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.901 0.857 . . . . 0.0 109.097 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 22.8 t -137.23 135.51 37.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.756 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.559 ' OE1' ' HA ' ' B' ' 397' ' ' GLU . 0.2 OUTLIER -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.295 -179.6 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.85 -33.64 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 31.1 mt-10 -69.63 -49.0 57.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.132 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 tp -64.03 -45.38 89.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.675 ' HA ' HD21 ' B' ' 390' ' ' LEU . 40.3 mt -63.88 -34.16 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.746 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.411 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.7 OUTLIER -68.76 -47.83 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -57.42 -43.6 83.94 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.304 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' LEU . 14.4 mmtt -60.54 -47.5 85.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.099 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.688 ' HG2' ' HA3' ' B' ' 384' ' ' GLY . 30.7 mtp180 -61.0 -34.88 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.465 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.95 -49.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.671 HG21 HG13 ' A' ' 46' ' ' VAL . 9.9 tp -58.33 -41.63 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.618 ' HG2' ' HB2' ' B' ' 386' ' ' SER . 43.4 tp10 -74.98 -32.51 61.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.123 0.487 . . . . 0.0 109.913 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 33.2 ttmt -66.73 -47.57 71.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.209 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.72 -37.06 78.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.144 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 78' ' ' THR . 91.6 mt -66.68 -45.94 87.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.68 -39.48 94.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.662 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 19.0 ttt180 -67.36 -43.3 81.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.2 tp -57.88 -50.88 71.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.513 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.536 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 9.0 t -80.62 3.93 20.32 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -53.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.3 -0.875 . . . . 0.0 112.57 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.662 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.9 m-85 -91.16 -46.54 8.03 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.589 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 t0 -58.98 -57.12 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m80 70.57 18.35 6.49 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.08 5.8 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.931 0.872 . . . . 0.0 109.735 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -96.99 170.24 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.395 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.85 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.4 mp -122.9 131.2 73.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.76 139.91 28.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 99.7 mt -136.86 170.38 16.19 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 p 44.02 83.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.568 1.168 . . . . 0.0 113.004 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.594 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 27.8 pt20 -57.45 -21.21 35.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.081 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.07 94.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.1 -2.38 24.06 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.744 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' CD1' ' HA ' ' A' ' 89' ' ' GLN . 42.7 mt -68.86 -56.16 8.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -78.99 -44.9 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 0.0 110.173 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.49 -148.03 17.72 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.225 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.1 m -150.98 -36.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.863 0.364 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -122.45 -38.51 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 0.0 111.182 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -76.3 114.74 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.759 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 138.69 76.48 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 m 59.44 -128.07 1.2 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.666 0.274 . . . . 0.0 110.77 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -117.53 157.53 26.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.321 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -140.68 47.79 1.74 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.32 0.581 . . . . 0.0 110.105 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -78.32 -31.2 48.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.175 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.75 161.6 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.484 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -79.94 137.81 36.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.39 146.21 33.8 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.422 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.65 -34.84 10.97 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.338 2.025 . . . . 0.0 111.749 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 63.04 -89.44 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.739 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' LEU . 1.2 mm? -129.21 119.94 24.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.246 0.546 . . . . 0.0 111.565 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.85 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -138.54 139.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.128 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.583 HG13 ' HG ' ' A' ' 28' ' ' LEU . 12.1 p -118.24 148.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.7 m-20 -87.64 146.86 40.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.738 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 34.4 Cg_exo -59.72 -16.47 37.37 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.835 2.357 . . . . 0.0 112.927 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -85.79 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -63.7 135.13 56.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.237 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -115.24 171.23 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.129 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.444 ' HB3' ' H ' ' A' ' 117' ' ' GLU . 6.0 mp -96.41 -153.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.025 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.734 ' HB2' HD22 ' A' ' 10' ' ' LEU . 39.9 mt-10 -71.75 -22.0 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.392 . . . . 0.0 111.002 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.016 -179.802 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.786 0.327 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -78.97 159.0 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' B' ' 383' ' ' LYS . 2.3 mp 62.32 -158.36 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.523 0.515 . . . . 0.0 110.405 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 383' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 382' ' ' LEU . 7.6 mtpt 70.1 91.3 0.09 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.22 0.533 . . . . 0.0 111.035 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 384' ' ' GLY . . . . . 0.688 ' HA3' ' HG2' ' A' ' 68' ' ' ARG . . . -160.62 179.96 35.78 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 37.0 t -83.48 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.618 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . 23.1 m 57.71 61.59 2.38 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.665 0.603 . . . . 0.0 111.522 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -61.82 -21.05 64.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.303 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.93 -12.82 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.355 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' B' ' 386' ' ' SER . 3.8 mp -82.98 -16.03 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -88.2 -2.54 58.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.384 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -29.01 25.28 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.15 0.5 . . . . 0.0 110.74 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -81.56 -32.97 31.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.042 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.557 HG13 HD23 ' B' ' 390' ' ' LEU . 14.7 mm -65.8 -45.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.871 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.28 -28.38 69.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.038 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -81.16 -27.79 35.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 109.666 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.12 -20.1 49.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.559 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 5.1 tt0 -49.29 -59.91 3.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.805 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.04 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.42 . . . . 0.0 110.826 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -68.06 -22.22 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.35 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -21.22 66.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.284 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -82.2 -4.65 57.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.213 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.41 19.85 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -88.32 -154.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -102.06 47.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.361 0.6 . . . . 0.0 110.515 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 17.3 tpt -82.03 -43.85 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.577 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 10.2 t -143.16 156.52 44.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.037 0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 18.32 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.601 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.07 -43.2 31.19 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.588 2.192 . . . . 0.0 112.223 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -81.37 147.49 29.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.99 -19.64 4.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.972 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 m -104.94 136.24 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -7.79 5.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -91.7 147.07 23.26 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.427 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER 61.89 80.5 0.22 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.741 0.651 . . . . 0.0 110.704 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -12.49 1.64 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 32.8 m-85 -113.9 32.19 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.962 0.41 . . . . 0.0 110.345 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -49.25 78.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.785 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.63 -37.97 70.82 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 93.2 m-85 -60.33 -35.8 76.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.41 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -67.1 -27.68 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -79.04 -46.35 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.283 0.563 . . . . 0.0 109.924 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -46.05 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.674 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.2 p -58.06 -39.55 78.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 110.341 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 25' ' ' VAL . 6.4 t-20 -66.0 -42.29 89.94 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.632 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.29 -39.5 83.19 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -66.68 -52.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 22' ' ' ASN . 10.9 p -67.95 -39.4 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.613 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 23.7 mt -64.64 -51.77 60.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 42.3 t-80 -59.76 -48.37 81.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.49 -42.83 91.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.652 -179.132 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 ptm180 -61.35 -35.75 78.29 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.352 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 33.4 mmtp -70.7 -40.94 72.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 0.0 109.666 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' HIS . 59.2 t -62.84 -50.99 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -65.76 -28.66 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 111.473 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -72.47 -33.15 66.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.72 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.31 -60.75 1.49 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 31.3 mt-10 -91.24 -20.51 21.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 29.7 t70 74.24 -58.29 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.354 0.662 . . . . 0.0 110.422 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -88.01 -122.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.856 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m 54.36 57.63 5.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.471 0.482 . . . . 0.0 111.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . . . -51.49 -42.1 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.083 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.783 ' HG ' ' H ' ' A' ' 41' ' ' LYS . 13.9 tp 70.11 -164.74 0.16 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 123.656 0.597 . . . . 0.0 110.386 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.783 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 28.9 mtpp -118.7 151.25 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 42' ' ' ARG . 18.0 mtm180 -61.1 -44.88 96.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -62.33 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.47 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.9 -37.81 72.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.012 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.55 -48.54 81.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.777 0.322 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.93 -30.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 0.0 110.083 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 43' ' ' SER . 56.3 t30 -52.91 -58.32 7.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.858 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 42.5 p-90 -68.89 -33.12 73.25 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 16.8 t80 -55.19 -45.7 75.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.403 0.621 . . . . 0.0 110.023 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.794 HD13 ' HE3' ' A' ' 67' ' ' LYS . 10.0 mt -73.43 -50.68 20.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.546 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -54.56 -25.15 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 37.2 mm-40 -81.04 -41.28 22.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 49' ' ' TYR . 42.7 pt -102.21 -3.34 9.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.783 ' HA ' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -74.74 -26.52 59.85 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.465 -178.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -20.48 65.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.35 3.87 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.584 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.783 HG12 ' HA ' ' A' ' 54' ' ' GLU . 21.4 mm -67.89 112.21 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.817 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.17 -18.68 26.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 7.7 t -137.59 129.17 28.33 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.35 -36.55 43.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.942 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.01 -34.59 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.69 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 9.5 mm-40 -67.72 -42.5 81.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.18 0.514 . . . . 0.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.685 HD13 HG13 ' A' ' 57' ' ' ILE . 17.5 tp -67.22 -37.24 83.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.376 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.751 HG12 HD11 ' B' ' 390' ' ' LEU . 39.4 mt -69.72 -38.1 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.368 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.7 t30 -60.52 -50.57 73.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.37 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.541 ' O ' HG22 ' A' ' 70' ' ' ILE . 56.5 mmtt -54.87 -46.25 74.71 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.794 ' HE3' HD13 ' A' ' 50' ' ' LEU . 14.0 mttp -63.12 -42.12 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 40.8 ttp-105 -62.35 -29.53 70.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.582 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 65' ' ' ASN . 43.2 mm -86.55 -51.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 66' ' ' LYS . 8.9 tp -63.51 -41.32 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.743 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.1 -34.17 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 22.0 ttmm -63.52 -51.63 64.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.62 -35.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.36 -37.97 78.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.427 . . . . 0.0 109.955 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -70.33 -32.88 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.34 0.59 . . . . 0.0 109.776 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.823 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 9.3 ttt180 -74.63 -43.01 57.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.028 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 17.4 tp -56.91 -39.2 73.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.048 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.458 ' HA ' HD22 ' A' ' 84' ' ' LEU . 6.7 p -78.99 -25.63 43.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.41 -70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.823 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.1 m-85 -56.97 -47.0 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 5.1 m-20 -81.08 -61.14 2.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 63.37 33.94 13.44 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.636 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.75 3.56 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.55 . . . . 0.0 110.556 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.8 pt? -91.39 151.55 20.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.42 0.629 . . . . 0.0 111.707 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.79 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.7 mp -100.35 146.89 8.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.4 pt-20 -131.69 97.57 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.546 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.579 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 1.7 pp 155.63 146.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.568 1.167 . . . . 0.0 110.814 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -141.11 119.35 12.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.196 178.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -71.92 58.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 0.0 112.159 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.83 10.11 0.47 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.735 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.6 27.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.339 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 88' ' ' THR . 27.6 mt -110.65 -10.21 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.45 0.167 . . . . 0.0 111.15 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -86.51 -52.45 5.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.83 0.348 . . . . 0.0 111.55 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.46 74.11 0.34 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.62 158.78 19.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.622 0.249 . . . . 0.0 110.573 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -75.98 -39.79 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.94 123.98 33.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.378 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.39 -153.17 25.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.823 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.75 120.02 41.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.834 0.349 . . . . 0.0 110.183 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -112.32 155.26 24.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -152.74 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -98.26 -24.17 15.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.25 -49.82 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.429 0.633 . . . . 0.0 110.104 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -95.63 -168.72 1.82 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.443 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.09 156.58 90.6 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.325 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 86' ' ' GLU . 38.1 Cg_endo -66.93 -173.55 0.4 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.583 2.189 . . . . 0.0 112.051 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.491 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 55.6 m-85 -85.7 142.41 29.04 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.527 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 86' ' ' GLU . 2.1 mm? -98.65 123.29 42.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.844 -178.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.79 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -128.61 138.82 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.713 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.44 148.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.727 0.298 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -83.53 142.32 42.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.521 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.55 -0.49 5.23 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.878 2.386 . . . . 0.0 111.849 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -82.42 -4.55 57.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.832 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 121.87 11.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.715 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.86 -165.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.13 -179.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.2 mt -97.46 -61.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.674 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.412 ' CD ' HH22 ' A' ' 76' ' ' ARG . 5.0 tp10 -163.32 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.214 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.059 179.723 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.242 0.068 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 69.21 -70.83 0.13 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.253 0.621 . . . . 0.0 112.275 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.17 113.67 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.268 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -137.99 4.69 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.448 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 91.48 20.38 38.09 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.09 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' B' ' 387' ' ' GLN . 3.1 t -101.61 162.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 39.3 m -54.34 -31.09 53.54 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 111.728 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.544 ' HG3' ' HB ' ' B' ' 385' ' ' VAL . 0.5 OUTLIER -68.26 -18.75 64.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.881 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 385' ' ' VAL . 0.6 OUTLIER -53.17 -53.55 48.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.093 0.473 . . . . 0.0 111.6 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.12 -33.72 74.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.314 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 64' ' ' ILE . 11.1 tp -85.08 -16.09 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.63 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -61.94 -26.78 68.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.093 178.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' B' ' 396' ' ' LYS . 1.7 mp -62.4 -30.7 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.556 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.84 -24.53 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.184 0.516 . . . . 0.0 110.342 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -98.04 -16.51 19.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.451 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -81.63 -9.02 59.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.015 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.86 -46.07 67.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.354 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 398' ' ' ALA . . . . . 0.461 ' HA ' ' HG2' ' B' ' 401' ' ' GLN . . . -64.8 -37.47 87.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.893 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.48 -40.08 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.68 -40.39 66.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.63 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 401' ' ' GLN . . . . . 0.461 ' HG2' ' HA ' ' B' ' 398' ' ' ALA . 19.0 pt20 -72.71 -22.52 60.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.618 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.95 22.09 15.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.129 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 403' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' B' ' 404' ' ' GLN . . . -102.95 -176.11 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.163 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 404' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 403' ' ' ALA . 2.1 mp0 68.15 175.66 0.27 Allowed 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.684 0.615 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.22 -59.02 2.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.352 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 3.6 m -121.58 -32.43 3.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 401' ' ' GLN . 22.3 ttt-85 56.42 -103.11 0.17 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 408' ' ' TRP . . . . . 0.413 ' H ' ' HB3' ' B' ' 407' ' ' ARG . 9.0 m0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.63 -0.7 . . . . 0.0 109.791 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -75.4 146.72 31.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 59.44 -153.63 0.38 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.34 147.43 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 m -87.2 169.89 11.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.76 81.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -131.79 -31.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.429 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.4 mt -70.34 -61.13 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.902 0.382 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.9 -112.04 1.33 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.148 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 57.48 30.38 18.57 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.615 0.366 . . . . 0.0 111.376 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -49.15 78.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.62 -42.3 78.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.038 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -59.4 -42.4 91.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.037 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t -60.57 -43.69 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -61.51 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 HD12 ' A' ' 70' ' ' ILE . 1.7 mp -65.41 -46.76 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.053 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.7 t -58.14 -37.45 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.025 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -61.32 -42.6 98.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.587 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -59.77 -38.73 82.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.475 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' HE2' ' A' ' 114' ' ' TYR . 7.3 mm -66.98 -52.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.477 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.38 -36.11 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.748 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 8.2 mt -67.47 -51.84 46.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.641 0.258 . . . . 0.0 111.444 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -68.36 -39.4 81.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.056 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.28 -45.98 82.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.914 -179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 14.3 ptm180 -63.1 -30.47 71.62 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 110.243 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 17.3 tppt? -73.08 -42.18 63.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 40' ' ' LEU . 14.4 t -59.97 -48.97 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.872 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 10.4 pt-20 -66.7 -28.14 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.749 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -73.67 -34.16 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.462 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 16.5 mt-10 -87.21 -55.63 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.549 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.43 -80.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 176.51 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.535 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -109.8 -52.1 2.81 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m 67.76 -43.02 0.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.316 -1.311 . . . . 0.0 113.198 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 61.67 86.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.501 0.667 . . . . 0.0 110.354 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.87 167.82 11.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.492 -178.446 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -82.01 130.52 35.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.914 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -36.14 78.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.468 0.175 . . . . 0.0 111.334 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -33.69 75.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.668 0.271 . . . . 0.0 110.489 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' HE1' ' A' ' 48' ' ' TRP . 88.4 mt -57.16 -50.92 71.33 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.068 0.461 . . . . 0.0 109.897 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 39.8 t -64.19 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.197 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -56.71 -60.31 3.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.157 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 36.3 p-90 -66.62 -28.89 68.85 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.045 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.9 t80 -59.39 -50.04 75.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 14.7 mt -67.56 -38.82 84.68 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.653 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 3.1 mptp? -59.7 -25.59 64.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.783 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -83.19 -41.21 18.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.956 0.408 . . . . 0.0 111.524 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' ILE . 8.0 pt -89.57 -16.6 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 10.5 pt-20 -61.21 -21.68 64.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -26.08 61.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.895 0.379 . . . . 0.0 110.349 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 -21.48 15.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.2 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.9 mm -74.21 108.37 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -110.21 -10.52 14.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.412 0.625 . . . . 0.0 109.35 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -118.74 134.8 54.88 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.243 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 64' ' ' ILE . 3.1 tt0 -58.64 -37.55 76.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.017 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -52.6 -46.4 66.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.661 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB2' HG23 ' A' ' 57' ' ' ILE . 68.1 mm-40 -60.05 -46.61 88.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.01 0.433 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.2 tp -66.13 -42.18 89.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 60' ' ' GLU . 83.0 mt -62.8 -42.41 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 109.981 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.4 t30 -57.84 -48.78 78.78 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.024 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.564 ' HE3' HD13 ' A' ' 53' ' ' ILE . 7.7 tppt? -63.59 -49.7 72.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' B' ' 393' ' ' ILE . 13.1 tptp -54.85 -49.17 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.327 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 14.8 ptt180 -65.79 -30.03 70.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 65' ' ' ASN . 38.8 mm -79.52 -51.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.427 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.492 HD12 HG23 ' A' ' 20' ' ' ILE . 7.3 tp -58.18 -42.91 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.59 0.233 . . . . 0.0 110.936 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.43 -44.16 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 37.0 ttpt -59.91 -43.64 94.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 69' ' ' ILE . 79.7 t -60.78 -47.74 91.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.695 0.284 . . . . 0.0 110.255 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.21 -43.68 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.3 -41.9 98.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.703 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.68 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 33.5 ttm180 -62.76 -41.88 99.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.52 0.676 . . . . 0.0 110.205 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -71.9 -24.76 61.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.081 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -93.98 4.47 53.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -139.82 -55.96 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.68 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 42.6 m-85 -71.73 -54.65 9.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.55 -56.88 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 111.86 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 25.2 t-80 67.77 50.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.076 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG22 HD21 ' A' ' 77' ' ' LEU . 2.7 m -91.63 -2.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -87.78 140.81 29.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.996 178.576 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.834 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.1 mt -93.32 131.86 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.85 119.13 33.94 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -87.27 -155.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.851 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.7 p -111.22 -168.82 1.35 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.73 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.49 -19.25 2.43 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.401 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.44 -46.68 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.994 0.426 . . . . 0.0 110.881 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.65 64.46 3.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.453 -0.88 . . . . 0.0 111.965 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.33 -47.94 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.937 0.398 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -98.73 111.79 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.675 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.34 -15.93 58.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.919 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 m -140.9 160.24 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -111.14 -28.94 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.336 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -145.93 -171.34 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.162 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.19 -108.46 0.6 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -77.78 139.7 39.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.657 0.265 . . . . 0.0 110.981 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 45.5 mt-10 -81.29 142.27 33.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.121 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -118.1 61.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.461 0.648 . . . . 0.0 110.216 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.428 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 39.6 p90 -97.13 -14.74 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.956 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -81.72 -12.43 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.62 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.63 -167.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.242 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.81 107.8 59.37 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.185 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.2 -167.01 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.724 2.283 . . . . 0.0 112.063 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 36.6 m-85 -85.86 125.96 33.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.637 HD22 HD21 ' A' ' 84' ' ' LEU . 50.2 mt -103.03 143.13 32.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 111.896 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.834 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -147.91 138.32 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.203 178.604 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HB ' HD12 ' A' ' 84' ' ' LEU . 4.6 p -119.69 163.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.709 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' HB2' ' HD2' ' A' ' 112' ' ' PRO . 53.8 p30 -102.47 163.05 18.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.028 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 111' ' ' ASN . 73.5 Cg_endo -79.3 0.87 9.66 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.694 2.263 . . . . 0.0 111.799 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -74.01 -66.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.005 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER 55.9 -159.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.591 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -137.43 26.48 2.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.286 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -120.01 132.7 55.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.189 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.73 -24.13 61.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.521 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.624 0.249 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -83.5 99.21 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.99 0.424 . . . . 0.0 110.807 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.31 -41.04 2.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.374 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -117.88 179.04 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.267 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -98.96 -166.54 30.39 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.53 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.414 HG21 HD13 ' A' ' 64' ' ' ILE . 6.5 p -80.35 153.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 1.2 m -78.41 64.92 3.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -71.84 -36.15 70.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.403 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.49 -20.84 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 26.1 tp -81.18 -8.59 59.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 0.0 110.063 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.957 ' HB3' ' HB ' ' B' ' 393' ' ' ILE . 34.9 mt -84.81 -57.19 3.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 44.98 26.77 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.312 1.007 . . . . 0.0 111.297 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 392' ' ' ARG . . . . . 0.452 HH12 ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -164.54 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.678 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.957 ' HB ' ' HB3' ' B' ' 390' ' ' LEU . 3.4 mp -65.52 -22.2 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.228 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -63.32 -43.73 96.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.443 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.03 -27.9 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.789 ' HD2' HG23 ' B' ' 393' ' ' ILE . 0.0 OUTLIER -64.01 -30.69 71.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 178.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 39.9 tt0 -54.17 -55.62 26.06 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.283 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.24 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.723 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -57.17 -46.58 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -85.16 -18.61 33.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 401' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 397' ' ' GLU . 0.8 OUTLIER -72.93 -52.59 14.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.54 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.12 -30.77 63.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.933 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 60.73 -95.0 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.621 0.576 . . . . 0.0 112.056 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 64.08 -160.51 0.29 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.836 0.454 . . . . 0.0 110.4 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 14.6 tpt -90.08 -39.47 12.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 110.052 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 406' ' ' THR . . . . . 0.658 HG23 ' HD3' ' B' ' 407' ' ' ARG . 12.6 t -81.63 171.43 14.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.748 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.658 ' HD3' HG23 ' B' ' 406' ' ' THR . 8.7 mpt_? 70.68 156.97 0.16 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 111.477 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.013 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -67.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.486 2.124 . . . . 0.0 112.094 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 52.0 mtpt -124.53 -50.47 1.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.52 156.29 37.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.439 . . . . 0.0 111.632 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 m -123.25 135.48 54.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.844 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 14' ' ' PHE . 3.8 mm? 66.44 20.78 10.91 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.747 0.419 . . . . 0.0 111.419 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 2.0 tpp180 -146.07 112.05 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.707 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.1 tp -175.66 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.43 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.82 35.95 0.5 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.342 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' HE1' ' HA ' ' A' ' 10' ' ' LEU . 3.7 p90 -158.43 42.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.413 0.149 . . . . 0.0 111.35 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -26.28 67.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.346 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -56.68 -52.22 65.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.034 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -58.26 -44.87 88.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.866 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -38.72 92.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.217 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -64.91 -47.72 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.07 -44.54 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.34 0.59 . . . . 0.0 109.812 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.1 m -60.5 -38.43 84.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.083 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -70.06 -33.14 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.12 -37.82 84.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.516 178.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.35 -44.78 97.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.812 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.52 -44.2 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 123.337 0.398 . . . . 0.0 111.446 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.85 -46.73 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 70.2 t60 -62.97 -36.72 84.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 112' ' ' PRO . 1.2 tm? -64.2 -41.16 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.95 -41.74 88.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.244 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -70.33 -33.91 72.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' HIS . 45.5 t -64.95 -42.21 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.0 pt-20 -78.7 -29.12 45.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -77.25 -42.38 37.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -94.52 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.59 -20.1 65.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 35.2 t70 68.41 20.16 8.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.772 0.796 . . . . 0.0 110.153 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -116.86 -141.2 0.37 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.46 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 109' ' ' VAL . 1.5 p -179.57 -26.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.029 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -87.06 162.78 17.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.3 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt 69.17 92.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.368 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 22.1 ptmt -165.68 21.12 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.507 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 42' ' ' ARG . 7.1 ttm-85 -73.94 -62.41 1.51 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.75 -36.61 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.765 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 74' ' ' ILE . 15.3 tp -52.15 -57.93 8.13 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG12 HD11 ' A' ' 50' ' ' LEU . 2.0 t -68.07 -37.53 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 110.212 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.56 -58.22 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.245 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 37.6 p-90 -76.18 -29.06 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.321 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' ILE . 24.0 t80 -59.3 -52.79 64.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.894 0.378 . . . . 0.0 110.615 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.543 HD11 HG12 ' A' ' 46' ' ' VAL . 14.9 mt -62.57 -39.13 92.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.054 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.726 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -70.65 -27.09 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.732 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -83.49 -37.16 23.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.813 -179.104 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.662 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 29.8 pt -90.78 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 7.0 pt-20 -60.87 -23.36 65.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.32 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -32.74 72.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.384 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 7.5 pt-20 -88.17 -16.09 34.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.768 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.0 mm -73.67 91.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.058 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -84.27 -14.96 48.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 m -139.03 143.52 38.45 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.374 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.653 ' HG3' HG21 ' B' ' 393' ' ' ILE . 2.6 tt0 -51.77 -44.63 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.526 0.516 . . . . 0.0 110.624 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp0 -53.99 -38.97 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.9 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.9 -43.23 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.237 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.768 ' HB2' HG21 ' A' ' 57' ' ' ILE . 17.5 tp -69.95 -39.69 75.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.822 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.875 ' HA ' HD11 ' B' ' 390' ' ' LEU . 18.7 mm -53.29 -52.96 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.548 0.689 . . . . 0.0 109.175 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.56 -52.04 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.836 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' O ' HG22 ' A' ' 70' ' ' ILE . 25.9 mmtm -57.39 -47.48 81.58 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.156 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.703 ' HD2' ' HB3' ' B' ' 389' ' ' LEU . 1.1 tppt? -65.64 -38.3 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.59 -46.65 87.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -68.08 -52.74 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.782 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' LYS . 9.3 tp -56.26 -42.27 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.467 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.56 -44.81 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.762 0.315 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -64.95 -39.71 93.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.338 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.47 -44.06 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 45' ' ' LEU . 97.2 mt -63.52 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.479 . . . . 0.0 110.044 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.37 -41.62 98.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.446 0.641 . . . . 0.0 109.686 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 35.3 ttt180 -67.43 -42.9 82.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.998 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 8.5 tt -57.37 -39.32 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.625 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -36.56 30.48 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -98.17 -67.91 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 98.7 m-85 -66.38 -53.4 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 84.2 m-20 -68.83 -48.11 64.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.102 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.35 33.36 22.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.304 0.573 . . . . 0.0 110.05 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HG ' ' A' ' 77' ' ' LEU . 7.0 p -95.81 7.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.038 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 108' ' ' LEU . 13.9 tp -90.47 130.1 36.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.276 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.847 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.2 mt -96.85 139.42 19.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.53 151.39 48.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.989 ' HB3' HD22 ' A' ' 92' ' ' LEU . 52.3 mt -84.35 173.93 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 90' ' ' ALA . 15.0 t -158.39 37.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.412 ' HG3' ' CB ' ' A' ' 101' ' ' SER . 23.4 tt0 74.0 -14.83 0.64 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.969 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 88' ' ' THR . . . -120.66 131.66 54.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.49 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.82 44.5 8.3 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.17 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.989 HD22 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -149.38 20.7 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.749 0.309 . . . . 0.0 111.51 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.603 ' HG3' ' HA ' ' A' ' 99' ' ' SER . 36.0 mmtt -136.9 -37.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.899 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.01 -29.58 11.81 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.665 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -86.93 147.16 25.88 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -25.96 64.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 0.0 110.752 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -147.78 122.89 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.793 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.7 4.01 0.91 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.9 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.603 ' HA ' ' HG3' ' A' ' 93' ' ' LYS . 68.1 m -66.93 114.73 5.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.92 -73.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.853 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.412 ' CB ' ' HG3' ' A' ' 89' ' ' GLN . 7.3 m 52.75 45.89 27.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.341 0.591 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -67.77 -26.96 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.92 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.14 146.06 33.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.12 -18.3 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 111.359 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.68 132.3 21.97 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -83.2 177.4 6.6 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.07 2.514 . . . . 0.0 113.06 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -86.15 137.13 32.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.1 mm? -103.17 126.51 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.845 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.847 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -136.05 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.737 0.304 . . . . 0.0 111.155 -178.355 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.8 149.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.17 138.02 97.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.681 0.276 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HB3' HD12 ' A' ' 28' ' ' LEU . 47.6 Cg_endo -68.67 -8.46 23.34 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.279 2.652 . . . . 0.0 113.298 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -89.87 -69.06 0.74 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.573 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 28.5 t80 69.99 151.95 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.947 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.589 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.42 165.42 11.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.946 0.403 . . . . 0.0 111.181 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -128.55 176.35 7.83 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.871 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 122.115 0.959 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.301 -1.525 0 CA-C-N 113.844 -1.525 . . . . 0.0 110.026 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.478 0.18 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -78.95 77.28 5.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.235 0.54 . . . . 0.0 110.358 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 382' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' B' ' 388' ' ' ASP . 11.8 mt -66.28 -59.21 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.82 34.82 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.004 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 68.06 -118.7 9.79 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.7 104.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.0 109.769 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 12.5 t -159.77 163.45 34.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.647 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.24 -20.09 65.13 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.082 0.467 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.647 ' HB3' HD12 ' B' ' 382' ' ' LEU . 5.1 m-20 -56.16 -26.68 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.534 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.703 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 9.1 mt -59.56 -47.94 83.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.112 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.875 HD11 ' HA ' ' A' ' 64' ' ' ILE . 9.2 tp -82.26 -30.61 30.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.09 -27.61 69.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 109.509 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -61.68 -31.9 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.869 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 63' ' ' LEU . 1.7 mp -56.17 -36.97 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.614 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' B' ' 394' ' ' ARG . 17.5 mmm180 -56.88 -33.21 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.623 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.83 -11.36 19.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.746 0.784 . . . . 0.0 109.849 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.654 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 5.4 tmtm? -81.09 -34.16 32.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.327 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.4 -10.47 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.719 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -64.57 -50.05 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.777 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 399' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 396' ' ' LYS . 0.0 OUTLIER -63.04 -25.47 68.39 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -75.86 -47.7 24.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.72 0.295 . . . . 0.0 110.59 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -27.25 68.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.562 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.84 4.43 29.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.389 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -128.38 -47.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.611 0.244 . . . . 0.0 111.626 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.3 63.23 1.93 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.813 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 22.0 ptm -106.14 -1.6 23.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.761 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 2.4 m 63.2 -103.81 0.13 Allowed 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.2 mtt180 -122.98 -73.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.433 . . . . 0.0 110.644 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.063 -179.494 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.81 -71.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.966 2.444 . . . . 0.0 112.612 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -154.24 -40.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.272 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.03 156.57 21.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.77 29.48 5.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 mt -78.36 -14.66 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.261 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -67.43 -46.75 72.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.013 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 mt -94.5 -95.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' TYR . . . -73.69 79.33 0.84 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.047 -178.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -85.59 -39.06 17.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.75 0.309 . . . . 0.0 110.447 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -62.33 -46.5 88.43 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.983 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.56 -36.9 73.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.742 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 11.6 t80 -62.6 -40.46 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 21.6 t -65.93 -38.26 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.748 178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -65.06 -42.46 94.18 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -66.69 -49.83 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 110.138 179.508 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 24' ' ' ILE . 7.6 m -64.12 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -63.35 -32.51 73.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD22 HD11 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -60.56 -43.44 97.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.891 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 21' ' ' SER . 7.8 tp -64.91 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 29.9 m -77.52 -37.94 25.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.8 mt -68.6 -46.89 68.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.3 t-80 -65.15 -34.84 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 2.0 tm? -62.12 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 68.6 mtp180 -58.97 -38.48 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.587 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.26 -38.78 68.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.354 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 27' ' ' HIS . 55.4 t -65.49 -43.47 94.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.2 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 10.2 pt-20 -66.61 -27.9 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.392 . . . . 0.0 110.454 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -78.78 -42.62 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -88.12 -68.26 0.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.978 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 15.7 mm-40 -65.64 -37.35 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 66.51 18.08 10.75 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.605 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 10.6 pt-20 -123.61 -3.63 8.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m 68.06 -34.95 0.26 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.91 0.884 . . . . 0.0 113.155 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -54.18 134.62 44.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.117 0.484 . . . . 0.0 112.17 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -136.2 176.69 8.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.811 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HB2' ' HB3' ' A' ' 44' ' ' GLU . 42.5 mttp -94.41 130.47 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' HB2' HD12 ' A' ' 108' ' ' LEU . 57.4 ttt180 -59.47 -61.73 2.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -64.77 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.71 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . 36.2 tt0 -61.55 -36.08 79.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.904 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.724 HD11 HD13 ' A' ' 40' ' ' LEU . 50.1 mt -53.19 -57.49 10.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.922 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.738 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 p -72.67 -30.91 35.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 19.3 t30 -50.31 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.155 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -70.28 -29.06 65.73 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 53' ' ' ILE . 39.4 t80 -56.12 -46.57 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.325 0.583 . . . . 0.0 109.696 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.86 HD13 ' HE3' ' A' ' 67' ' ' LYS . 12.7 mt -69.54 -42.98 73.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 9.9 mmtp -59.24 -29.82 67.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.441 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.57 -44.67 13.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.687 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.701 ' O ' HG12 ' A' ' 57' ' ' ILE . 43.8 pt -81.11 -21.97 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 5.1 pt-20 -59.74 -25.63 65.01 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -76.72 -21.69 54.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.491 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -103.54 -24.0 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.727 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.701 HG12 ' O ' ' A' ' 53' ' ' ILE . 42.6 mm -64.65 118.44 6.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.13 0.49 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.506 ' O ' ' HE2' ' B' ' 400' ' ' LYS . 25.1 t70 -100.28 -25.38 14.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.071 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -104.3 130.02 52.13 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.65 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.43 -34.94 73.11 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.07 -44.18 82.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.169 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.5 mm-40 -62.05 -48.04 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.052 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 57' ' ' ILE . 14.7 tp -61.56 -35.33 77.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.214 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.71 HG12 HD11 ' B' ' 390' ' ' LEU . 95.6 mt -75.5 -45.04 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.856 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.17 -51.65 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.509 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -58.85 -41.34 86.73 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.86 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -64.35 -43.06 95.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.335 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -61.82 -47.55 84.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 20' ' ' ILE . 23.8 mt -63.04 -53.32 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.99 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.973 HD11 HD22 ' A' ' 23' ' ' LEU . 9.9 tp -55.49 -44.32 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.041 -0.263 . . . . 0.0 111.356 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.76 -48.9 70.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 0.0 110.489 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -57.58 -41.17 80.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.981 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.17 -49.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 77' ' ' LEU . 89.1 mt -60.26 -44.36 95.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.447 0.641 . . . . 0.0 110.044 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 6.1 t60 -63.08 -40.41 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 21.3 ttp-105 -75.92 -31.12 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.332 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.788 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -57.46 -36.88 72.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.715 ' HB ' HD13 ' A' ' 84' ' ' LEU . 5.2 t -93.64 -14.42 26.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 111.242 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 2.7 t60 -95.9 -75.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -82.76 -42.18 18.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.788 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.831 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 61.46 32.32 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' A' ' 81' ' ' ASP . 18.1 m -105.87 10.88 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.068 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 108' ' ' LEU . 5.3 tt -98.85 140.27 33.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.656 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.719 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 3.2 mp -115.41 117.07 54.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -110.64 128.14 55.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.002 0.43 . . . . 0.0 110.1 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.5 mt -83.93 175.11 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.056 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.4 p -79.84 156.24 27.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -31.84 57.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.817 0.342 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.0 162.21 13.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.187 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.1 54.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.294 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.6 mt -121.08 -67.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.756 0.312 . . . . 0.0 110.754 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 -35.81 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.023 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 142.6 86.1 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.084 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -114.4 108.8 17.37 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 t -121.01 -23.02 5.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.332 0.587 . . . . 0.0 109.97 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -110.38 139.52 45.5 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.359 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.47 -96.63 2.03 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.17 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 m 58.24 56.78 4.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 110.627 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -113.59 -45.74 3.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.93 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m 54.73 39.25 31.22 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 123.773 0.67 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -93.91 -28.82 15.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.514 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.54 -32.28 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -131.27 167.03 19.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.139 0.495 . . . . 0.0 111.554 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -103.57 153.31 38.69 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.905 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.11 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.615 2.21 . . . . 0.0 111.419 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.557 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 95.6 m-85 -78.19 114.86 17.47 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 84' ' ' LEU . 45.9 mt -94.7 135.35 36.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.604 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.719 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 8.2 t -123.29 151.2 27.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.63 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.27 143.86 37.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-80 -66.46 145.03 98.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 8.4 Cg_exo -71.58 -3.54 13.27 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.108 2.539 . . . . 0.0 113.253 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -97.9 -84.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER 62.16 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.497 0.665 . . . . 0.0 110.982 -179.372 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.561 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.87 160.79 17.05 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.868 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.6 mt -120.62 -61.9 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -150.85 -54.21 0.14 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.226 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.541 178.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -131.84 109.12 9.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.664 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 31.0 tp -76.25 113.44 13.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.258 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.17 140.9 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.039 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 114.41 -3.6 23.49 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 1.5 p -130.19 156.32 42.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 7.1 m 68.5 -70.94 0.12 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.21 0.604 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.68 -47.92 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 1.0 OUTLIER -64.37 -27.98 69.39 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.119 0.485 . . . . 0.0 111.204 -179.811 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.63 -25.12 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.453 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.71 HD11 HG12 ' A' ' 64' ' ' ILE . 5.3 tp -86.31 -5.49 59.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.196 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 388' ' ' ASP . 5.6 pt-20 -59.89 -25.2 64.9 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -72.46 -20.77 61.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.269 0.557 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.6 mp -63.41 -25.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.357 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -59.61 -46.56 88.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.051 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.05 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.21 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -66.71 -31.69 72.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.578 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -60.26 -51.36 69.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.75 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.77 74.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.53 -36.05 79.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' A' ' 58' ' ' ASP . 11.5 tptt -64.31 -25.44 68.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.333 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.48 -17.11 62.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.15 0.5 . . . . 0.0 110.316 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.47 -60.35 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.086 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 60.92 -167.05 0.19 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.1 38.12 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 25.3 mmt -66.79 -33.7 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.774 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m 53.07 80.46 0.1 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.294 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -29.92 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.657 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.028 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 16.5 Cg_exo -68.88 -7.26 20.21 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.22 2.613 . . . . 0.0 112.614 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HB3' HD23 ' A' ' 10' ' ' LEU . 42.8 mttm 60.11 69.82 0.67 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.162 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.98 -24.75 23.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.465 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -111.76 -11.67 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 7' ' ' LYS . 78.0 mt 62.19 40.98 11.12 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -79.37 173.79 12.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.358 -179.199 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 tp 74.61 -71.69 0.13 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.996 0.81 . . . . 0.0 109.96 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.8 -156.94 31.0 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 56.99 38.1 29.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -66.11 -35.06 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.12 0.486 . . . . 0.0 110.189 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.03 -49.6 27.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.336 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.44 -39.03 75.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.899 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -62.12 -47.61 83.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 66' ' ' LYS . 1.1 mp -74.43 -50.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.099 0.476 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -61.17 -36.18 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -58.98 -35.97 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -57.95 -44.25 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.513 179.564 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.427 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 mm -60.51 -49.69 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.47 -51.28 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.886 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.07 -41.66 99.48 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 t-80 -73.91 -39.44 63.84 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.465 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.6 tm? -61.76 -45.83 92.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.4 ptm180 -63.52 -29.74 70.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.176 0.512 . . . . 0.0 110.209 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.87 -41.92 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.376 0.607 . . . . 0.0 109.632 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 40' ' ' LEU . 49.5 t -65.88 -44.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.53 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 pt-20 -64.71 -28.65 69.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.977 0.418 . . . . 0.0 110.264 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -70.06 -39.19 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -102.09 -68.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.14 -40.49 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.441 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.23 -6.66 1.49 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.379 0.671 . . . . 0.0 111.944 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.04 -22.04 24.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 0.0 111.349 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' HD21 ' A' ' 28' ' ' LEU . 7.3 m 58.92 20.53 8.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.3 138.88 31.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 31' ' ' VAL . 41.3 mt -144.88 164.04 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.148 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -101.68 139.07 37.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.963 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -54.02 -63.13 1.25 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 1.3 m -64.66 -28.59 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.11 -40.44 64.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 23' ' ' LEU . 3.1 mt -54.49 -52.36 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.157 0.503 . . . . 0.0 110.853 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.717 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -72.52 -33.16 44.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.781 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' SER . 50.5 t30 -50.31 -59.54 3.87 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.33 -29.43 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.51 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 36.2 t80 -53.91 -52.59 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.377 0.608 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.935 HD22 ' HZ2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -68.64 -45.73 71.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 -179.045 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.43 -27.85 62.77 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -83.65 -45.01 13.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.9 pt -89.02 -11.08 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.0 pt-20 -65.41 -25.05 67.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.53 -24.45 60.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.516 0.198 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -101.83 10.09 40.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.457 0.646 . . . . 0.0 110.082 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.4 mm -82.4 108.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.843 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -21.03 37.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.183 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.575 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 0.5 OUTLIER -135.98 129.33 31.94 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.582 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 16.9 pm0 -53.08 -39.83 63.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.575 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.582 ' N ' ' HG2' ' A' ' 60' ' ' GLU . 27.5 mt-10 -53.17 -35.24 59.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.146 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.8 mm-40 -63.24 -41.92 99.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.6 tp -74.01 -36.63 64.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.107 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.773 HG23 HD21 ' B' ' 390' ' ' LEU . 9.9 mt -62.92 -49.59 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 t30 -61.07 -50.67 72.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.28 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -55.99 -40.47 73.36 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.935 ' HZ2' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.51 -49.19 72.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.362 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 17.8 tpp180 -62.54 -40.74 97.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.595 HG22 HG21 ' A' ' 20' ' ' ILE . 42.9 mt -65.37 -53.24 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.31 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.702 HD11 HD22 ' A' ' 23' ' ' LEU . 9.6 tp -60.35 -37.1 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.557 0.218 . . . . 0.0 111.204 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.15 -47.49 64.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 109.774 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -60.45 -46.69 89.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.612 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 69' ' ' ILE . 33.9 m -59.14 -36.56 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.523 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.44 -40.98 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -65.31 -39.73 92.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.293 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.643 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 57.0 ttp180 -69.79 -40.95 75.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD13 ' HE1' ' A' ' 114' ' ' TYR . 8.6 tp -63.24 -42.73 99.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.623 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.2 p -84.24 4.06 32.54 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -134.47 -60.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.144 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.643 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.4 m-85 -75.28 -54.72 6.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.712 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 12.8 m-20 -63.08 -50.29 71.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 m170 65.69 17.78 10.99 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.795 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.75 19.36 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.259 1.028 . . . . 0.0 109.536 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -94.27 124.98 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.28 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.006 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.1 mt -87.51 133.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.97 147.52 49.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.522 . . . . 0.0 111.049 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 107' ' ' TYR . 6.4 mp -97.35 165.37 12.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.764 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.7 p -81.14 115.81 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -52.72 -41.19 63.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.76 79.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.707 0.289 . . . . 0.0 111.325 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.7 74.85 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.303 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -112.31 16.92 19.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 109.636 179.215 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -116.85 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.352 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.82 -13.12 2.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.077 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 m 58.41 22.54 9.61 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 97' ' ' GLU . 5.1 t 170.68 -19.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.085 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' HG2' HG23 ' A' ' 96' ' ' THR . 34.2 mm-40 -117.62 150.29 39.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.759 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.93 -109.29 3.55 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.466 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 m 61.94 25.39 15.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.763 0.425 . . . . 0.0 111.764 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.628 ' HB2' ' HD1' ' A' ' 102' ' ' TYR . 56.2 mt-10 -120.47 154.2 35.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -84.27 30.7 0.52 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.755 0.312 . . . . 0.0 111.693 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.628 ' HD1' ' HB2' ' A' ' 100' ' ' GLU . 25.2 p90 -84.23 -16.98 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.208 0.528 . . . . 0.0 110.328 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.42 176.62 6.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.613 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.85 -175.54 5.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.743 0.306 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.88 146.94 95.85 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.17 -160.96 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.661 2.241 . . . . 0.0 112.192 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.7 ' HB2' HD13 ' A' ' 87' ' ' LEU . 39.6 m-85 -82.69 126.86 32.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.621 ' HB3' HD11 ' A' ' 84' ' ' LEU . 60.2 mt -111.62 130.79 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.006 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -134.67 138.62 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.052 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.404 ' HA ' HD22 ' A' ' 84' ' ' LEU . 8.1 p -101.71 145.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 61.6 t30 -64.17 130.19 94.43 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 31.7 Cg_exo -59.49 -11.55 14.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.123 2.549 . . . . 0.0 112.863 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -83.9 -65.7 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.724 ' HE1' HD13 ' A' ' 77' ' ' LEU . 6.2 t80 65.59 172.75 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.74 174.81 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.6 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.2 -176.33 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.654 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.36 -29.12 64.59 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.356 -179.682 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.078 0.466 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -90.64 83.79 5.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 133.03 48.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -147.04 91.09 1.96 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.087 0.47 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -79.78 91.14 1.28 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 385' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' B' ' 389' ' ' LEU . 42.1 t -74.98 110.3 9.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 111.541 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 66.2 m -156.82 -91.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.306 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -72.73 -33.62 66.53 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 388' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' B' ' 391' ' ' GLU . 6.1 p-10 -64.86 -10.76 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.585 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.637 ' HG ' ' HD2' ' A' ' 67' ' ' LYS . 4.1 tp -55.43 -51.88 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.455 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.773 HD21 HG23 ' A' ' 64' ' ' ILE . 28.8 tp -87.65 -13.02 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.804 ' HG2' ' HE ' ' B' ' 394' ' ' ARG . 3.4 tt0 -70.75 -10.98 60.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.617 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -28.51 34.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.524 0.678 . . . . 0.0 109.903 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.648 HG21 ' CG1' ' A' ' 64' ' ' ILE . 1.7 mp -58.69 -36.21 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.73 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.804 ' HE ' ' HG2' ' B' ' 391' ' ' GLU . 23.2 ptt85 -59.49 -23.29 62.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 111.321 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -100.97 -17.22 16.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.555 0.693 . . . . 0.0 109.713 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.462 ' HD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -81.69 -29.86 32.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.993 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 400' ' ' LYS . 1.2 pp20? -58.96 -30.66 68.09 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.89 67.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -59.65 -23.3 62.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.12 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' A' ' 59' ' ' SER . 8.4 mtmm -68.7 -29.36 67.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.677 0.275 . . . . 0.0 110.944 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -77.37 -26.68 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 0.0 109.887 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 408' ' ' TRP . 8.7 mp -92.47 -7.96 45.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.426 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.88 1.96 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.585 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 65.44 19.67 11.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.309 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 24.9 ttt -84.98 -49.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.31 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 406' ' ' THR . . . . . 0.417 ' HB ' ' CZ3' ' B' ' 408' ' ' TRP . 5.1 m -152.96 69.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.865 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 407' ' ' ARG . 31.3 ttp180 60.08 52.35 5.18 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.593 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 408' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' B' ' 402' ' ' LEU . 7.4 m0 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.292 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.29 -37.1 42.25 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.82 161.75 24.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.08 63.56 1.23 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.399 0.619 . . . . 0.0 110.883 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -92.77 -12.51 31.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.41 -18.05 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 111.131 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -80.85 100.38 8.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.784 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.88 HD21 ' HE2' ' A' ' 17' ' ' TYR . 1.1 pt? -178.66 -31.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.525 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.21 -49.53 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 5.1 t80 72.61 3.98 4.85 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 124.187 0.581 . . . . 0.0 111.098 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -48.41 73.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.134 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.6 65.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.4 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.88 ' HE2' HD21 ' A' ' 12' ' ' LEU . 53.0 m-85 -59.67 -45.18 92.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 40.5 m -61.23 -47.92 83.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -63.36 -36.24 83.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.045 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 1.4 mp -77.83 -51.83 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -60.08 -31.85 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' SER . 65.3 t30 -62.33 -35.05 77.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -59.14 -41.23 87.77 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 24' ' ' ILE . 3.5 mm -62.73 -47.56 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.46 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 83.4 mt -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.712 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -63.13 -45.8 90.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.602 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -63.08 -49.69 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.5 0.19 . . . . 0.0 111.038 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -61.43 -31.36 71.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.138 -179.314 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -73.19 -54.77 7.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.02 -36.15 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 pt-20 -70.12 -29.03 65.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.67 -35.05 30.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.69 -62.98 1.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -106.03 -78.79 0.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.184 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 21.0 t70 -178.96 -54.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.384 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.11 -42.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m 71.12 -48.29 0.67 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.9 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 54.92 89.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.345 0.658 . . . . 0.0 112.147 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 ' HB3' ' H ' ' A' ' 41' ' ' LYS . 2.2 mm? -100.63 -151.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' H ' ' HB3' ' A' ' 40' ' ' LEU . 16.6 mttm -125.81 163.33 23.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.9 ptm180 -60.23 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.021 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -30.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.13 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.32 -37.83 71.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -62.44 -42.05 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 178.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.695 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 19.9 t -73.22 -34.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.135 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -50.13 -59.53 3.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.139 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.721 ' HE1' HD13 ' A' ' 45' ' ' LEU . 48.5 p-90 -68.74 -29.43 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.029 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 19.2 t80 -60.29 -51.55 69.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.196 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -63.02 -37.06 85.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.962 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -29.11 69.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.097 0.475 . . . . 0.0 110.93 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 32.2 mm-40 -84.54 -36.04 22.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.458 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 57' ' ' ILE . 20.3 pt -87.9 -13.48 10.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 10.1 pt-20 -60.09 -24.07 64.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.855 0.359 . . . . 0.0 111.364 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -24.59 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.28 -17.75 20.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.161 0.505 . . . . 0.0 110.044 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 63' ' ' LEU . 23.9 mm -86.05 98.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.767 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.9 -12.28 25.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.13 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.07 128.88 48.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.739 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.67 -35.71 66.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -54.49 -36.58 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.521 0.2 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.599 ' HB3' HD12 ' A' ' 57' ' ' ILE . 44.8 mm-40 -66.55 -46.77 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.184 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.987 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.0 tp -65.92 -49.66 67.22 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.705 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.776 HG12 HD21 ' B' ' 390' ' ' LEU . 22.0 mt -55.58 -36.29 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.129 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.5 t30 -71.29 -46.75 60.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.101 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -58.08 -44.19 87.45 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.588 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.787 ' HD2' HD12 ' B' ' 390' ' ' LEU . 65.6 mttt -65.72 -34.51 78.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.186 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -66.93 -42.98 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.893 178.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 65' ' ' ASN . 37.3 mm -70.38 -48.16 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 46' ' ' VAL . 11.0 tp -58.04 -39.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.273 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.59 -36.21 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.405 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -58.93 -50.56 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.33 -40.81 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.034 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.29 -41.67 91.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.92 -43.83 94.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.17 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.677 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 12.2 ttm180 -68.13 -38.76 82.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.81 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' HG ' HG12 ' A' ' 83' ' ' VAL . 6.7 tt -60.94 -44.44 97.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.078 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.927 ' HA ' HD22 ' A' ' 84' ' ' LEU . 17.4 p -85.26 3.99 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -132.96 -68.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.21 -0.596 . . . . 0.0 112.144 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.677 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.0 m-85 -72.85 -66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -177.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.31 -44.4 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 62.49 33.52 16.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.404 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 111' ' ' ASN . 7.1 p -90.45 13.86 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 122.2 1.0 . . . . 0.0 109.795 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.927 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.4 pt? -91.24 147.0 23.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.751 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.925 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.7 mt -118.36 129.36 74.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.492 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.18 151.0 47.3 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.075 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -101.1 -160.61 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.1 p -84.19 -170.73 3.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -122.04 -26.82 4.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.973 0.416 . . . . 0.0 110.09 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 95' ' ' SER . . . -112.98 -32.28 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.12 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.91 -18.76 62.51 Favored Glycine 0 C--N 1.329 0.194 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.392 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 6.6 mt -62.91 -43.22 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.166 0.508 . . . . 0.0 110.36 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -88.64 -26.45 21.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.74 12.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.197 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.459 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . 1.3 m -79.09 124.11 27.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.7 0.286 . . . . 0.0 110.334 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -114.02 154.03 28.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 62.68 84.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.656 0.598 . . . . 0.0 111.225 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.11 160.71 9.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.248 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.9 m -133.53 125.62 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -100.91 128.09 47.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 m -89.6 -23.15 22.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.442 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -12.84 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.182 0.515 . . . . 0.0 110.928 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.02 -21.65 66.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.109 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 70.75 174.39 0.3 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.707 0.629 . . . . 0.0 111.187 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.0 129.33 15.02 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.154 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.94 -172.36 0.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.88 2.386 . . . . 0.0 112.448 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.522 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 39.2 m-85 -70.56 131.92 44.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.318 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 84' ' ' LEU . 16.2 tp -116.56 129.04 55.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.059 0.457 . . . . 0.0 110.186 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.925 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -143.14 143.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.14 139.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.877 0.37 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 83' ' ' VAL . 26.0 t30 -67.38 125.64 91.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.861 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.55 -18.3 14.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.066 2.511 . . . . 0.0 112.307 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.43 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 86.6 m-20 -89.42 48.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.392 0.615 . . . . 0.0 109.378 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -73.15 150.86 41.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.372 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.99 174.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.1 mt -101.65 -61.44 1.38 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -175.86 -46.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.465 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.394 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.869 0.366 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -114.95 172.13 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.664 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.09 165.85 24.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 161.58 40.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -70.1 126.22 16.43 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.432 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.0 149.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.11 0.481 . . . . 0.0 110.741 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 386' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' B' ' 390' ' ' LEU . 0.0 OUTLIER -97.76 9.46 42.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.731 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -63.87 -25.89 68.36 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.339 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.08 -53.67 55.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.466 0.65 . . . . 0.0 110.159 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 389' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 389' ' ' LEU . 1.1 tp -78.51 -15.63 58.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.533 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.787 HD12 ' HD2' ' A' ' 67' ' ' LYS . 1.4 tp -89.47 -7.4 55.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.311 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 13.3 tt0 -58.08 -37.6 74.79 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.006 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -62.4 -23.08 66.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.326 0.584 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.753 HD12 ' HG ' ' B' ' 390' ' ' LEU . 11.6 mt -71.27 -25.84 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.607 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.807 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 4.2 ptp180 -63.29 -24.77 68.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.585 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.76 17.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.18 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.337 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.65 -37.68 76.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.961 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.89 85.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.653 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -68.19 -40.22 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.409 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -64.63 -43.16 94.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -73.91 -14.96 61.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.194 0.521 . . . . 0.0 110.378 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.68 -10.8 44.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.135 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -77.37 -146.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.67 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 69.36 108.84 0.05 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.094 0.473 . . . . 0.0 110.52 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 405' ' ' MET . . . . . 0.544 ' O ' ' HD3' ' B' ' 407' ' ' ARG . 12.7 tpt -65.34 -28.44 69.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 116.56 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.337 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 407' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 405' ' ' MET . 0.0 OUTLIER -96.99 -21.15 17.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.683 0.278 . . . . 0.0 111.294 -179.497 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.608 -179.192 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 118.26 5.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.556 2.17 . . . . 0.0 111.727 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -143.25 -175.9 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 69.93 170.28 0.31 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.022 0.826 . . . . 0.0 111.556 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -90.35 -168.77 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 tp 56.07 37.3 28.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.377 0.608 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -134.51 14.49 3.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.723 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 mt -97.24 -109.42 0.16 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.586 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.73 -62.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.682 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 33.4 p90 34.36 49.11 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 113.482 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 11.0 m -64.55 -44.28 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -61.88 -48.5 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.682 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 18.8 m-85 -57.05 -42.23 80.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.125 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 m -62.64 -43.16 99.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 15' ' ' SER . 38.9 mmt180 -63.29 -36.79 84.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.861 0.362 . . . . 0.0 111.265 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 HD12 ' A' ' 70' ' ' ILE . 1.6 mp -77.41 -47.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.68 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -36.43 75.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.36 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -60.46 -33.58 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.601 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 24' ' ' ILE . 5.0 mm -60.37 -52.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.14 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.543 ' HB ' ' NH2' ' A' ' 29' ' ' ARG . 12.4 m -69.09 -43.25 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.278 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.84 -47.22 83.28 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.037 0.446 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -70.59 -44.6 66.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.895 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.03 -50.69 72.56 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH2' ' HB ' ' A' ' 25' ' ' VAL . 7.6 ptp180 -61.38 -35.03 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -40.08 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.301 0.572 . . . . 0.0 110.369 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.98 -51.46 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.388 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.46 -27.8 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.77 -43.03 76.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.321 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.89 -66.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.24 -37.02 85.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t0 64.3 30.59 13.35 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.692 0.758 . . . . 0.0 110.027 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -154.05 106.09 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.749 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.823 ' HB3' HG23 ' A' ' 109' ' ' VAL . 7.5 t -69.11 -10.6 58.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.373 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -72.25 88.61 1.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -138.6 161.55 36.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.286 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 43.1 mttm -69.36 131.88 45.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 110.495 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -77.15 -19.25 57.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.777 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 m -60.54 -42.45 96.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 12.6 pt-20 -71.69 -29.51 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 48' ' ' TRP . 58.0 tp -54.62 -48.63 71.99 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 121.067 0.461 . . . . 0.0 110.037 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 34.3 t -72.51 -33.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' A' ' 51' ' ' LYS . 32.4 t30 -55.61 -58.83 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.687 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.655 ' HE1' HD12 ' A' ' 45' ' ' LEU . 44.0 p-90 -66.34 -29.58 69.8 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.873 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -59.52 -50.24 74.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.168 0.509 . . . . 0.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 11.7 mt -68.85 -35.84 77.42 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.911 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -67.7 -23.05 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 74.3 mm-40 -83.52 -36.24 24.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.6 pt -99.46 -6.57 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 8.4 pt-20 -54.11 -29.66 45.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -23.5 43.22 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -94.92 -30.27 14.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.082 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 63' ' ' LEU . 35.3 mm -72.01 105.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.735 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.65 -15.29 16.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.595 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -113.08 130.49 56.15 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.426 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 64' ' ' ILE . 1.5 tp10 -55.1 -42.22 72.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.175 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' HG12 ' A' ' 64' ' ' ILE . 56.5 mp0 -56.93 -38.35 72.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.023 -0.99 . . . . 0.0 112.315 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.595 ' HG2' ' HB2' ' A' ' 59' ' ' SER . 78.2 mm-40 -61.87 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 57' ' ' ILE . 4.8 tp -66.8 -41.54 87.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.736 HD11 ' HG3' ' A' ' 60' ' ' GLU . 5.0 mm -57.94 -47.02 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 1.3 t30 -60.67 -49.77 76.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.01 -43.11 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 110.432 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.864 ' HD2' HD12 ' B' ' 390' ' ' LEU . 13.1 ttmm -69.35 -43.61 73.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.867 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 6.0 ptp180 -60.62 -25.2 66.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.483 0.182 . . . . 0.0 111.265 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 65' ' ' ASN . 32.5 mm -87.86 -53.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.509 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.3 tp -56.43 -44.07 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.174 0.296 . . . . 0.0 111.205 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -61.93 -56.85 14.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.624 0.726 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.34 -44.51 75.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.98 -48.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.518 0.199 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.75 -41.7 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 109.939 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.34 -42.74 99.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.901 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -68.4 -46.39 70.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -58.98 -39.2 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.997 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.461 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.8 p -83.76 -15.92 46.71 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -116.44 -75.4 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.613 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 92.5 m-85 -59.29 -54.35 47.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 39.7 m-20 -66.72 -40.41 88.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.653 0.263 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 60.23 20.86 10.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.19 7.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 122.245 1.021 . . . . 0.0 109.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -101.67 126.11 48.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.704 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.4 mt -93.56 141.91 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.584 ' HB3' ' HG2' ' A' ' 106' ' ' PRO . 1.6 mt-10 -128.14 98.26 5.05 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.397 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp 170.65 170.01 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.991 0.807 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.503 HG22 HD21 ' A' ' 92' ' ' LEU . 2.9 t -144.15 1.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.096 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.48 ' H ' HD11 ' A' ' 92' ' ' LEU . 4.9 tt0 71.02 -46.31 0.63 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.25 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 134.53 51.69 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.413 . . . . 0.0 111.98 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.6 -61.81 3.2 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.974 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD21 HG22 ' A' ' 88' ' ' THR . 0.6 OUTLIER -72.15 -7.29 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.74 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -143.4 -56.32 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.835 0.35 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.01 -175.49 50.66 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -175.96 4.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.35 0.119 . . . . 0.0 110.807 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.8 p 53.53 -155.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.476 0.71 . . . . 0.0 111.674 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -113.16 -47.21 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 0.0 110.324 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -83.49 1.56 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.564 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 p -121.74 -175.7 3.15 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.64 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 4.6 pt-20 -78.34 76.11 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.556 0.693 . . . . 0.0 110.528 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -90.22 42.83 1.12 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 100' ' ' GLU . 18.1 p90 -75.77 -13.01 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -71.4 151.48 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.54 -25.81 59.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.888 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.28 152.59 38.31 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.456 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.584 ' HG2' ' HB3' ' A' ' 86' ' ' GLU . 56.3 Cg_endo -71.6 -177.66 2.59 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.788 2.326 . . . . 0.0 113.568 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.786 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 32.5 m-85 -84.63 122.59 29.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.644 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.5 mm? -82.28 122.77 28.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.968 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.18 138.47 54.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.58 142.54 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' OD1' HD11 ' A' ' 85' ' ' ILE . 11.3 m120 -102.04 147.62 34.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.284 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.62 -6.45 18.57 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.669 2.246 . . . . 0.0 112.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.83 -63.22 1.22 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.421 ' HD1' HD22 ' A' ' 115' ' ' LEU . 0.2 OUTLIER 53.83 -154.41 0.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.412 -179.684 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.421 HD22 ' HD1' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -147.95 23.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.932 0.396 . . . . 0.0 110.978 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.85 153.59 48.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.15 -23.54 47.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 C--O 1.248 0.991 0 O-C-N 124.241 0.963 . . . . 0.0 110.529 -179.388 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.938 0.399 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -91.08 124.3 35.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.897 0.379 . . . . 0.0 111.082 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 86.9 mt -108.73 -54.95 2.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -116.33 150.04 38.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.374 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -112.64 -14.03 10.85 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.903 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.71 107.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.395 0.617 . . . . 0.0 110.681 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.96 7.28 39.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -57.75 -19.78 30.23 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.137 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -16.97 35.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.84 -9.04 41.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.821 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 390' ' ' LEU . . . . . 0.864 HD12 ' HD2' ' A' ' 67' ' ' LYS . 3.0 tp -69.37 -6.97 33.33 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 391' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 7.2 pt-20 -65.4 -17.28 64.42 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.387 0.613 . . . . 0.0 109.644 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -78.63 -21.42 48.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.532 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 393' ' ' ILE . . . . . 0.705 ' O ' ' HG3' ' B' ' 396' ' ' LYS . 26.2 mm -70.75 -28.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.768 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 26.8 ptt180 -69.07 -25.61 64.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 109.792 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 396' ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -69.58 -13.24 62.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.499 ' HA ' ' OE1' ' B' ' 397' ' ' GLU . 20.8 tp10 -61.13 -43.51 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.101 0.477 . . . . 0.0 110.368 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.59 74.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.323 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.34 -37.51 83.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -71.36 -28.66 64.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -93.62 -1.47 55.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.095 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 402' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' B' ' 402' ' ' LEU . 4.0 tp -61.52 -15.84 41.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.779 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -61.53 126.07 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -60.33 102.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.751 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.86 -31.86 35.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.489 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 105.36 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.349 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -132.33 14.89 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 27.1 t90 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.9 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.234 0.265 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 m -62.13 -44.98 95.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.737 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -41.79 99.51 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.949 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.67 -45.46 86.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.473 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 m -66.38 -40.64 89.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 0.0 110.865 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 9.9 tpt180 -63.62 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 73' ' ' VAL . 1.5 mp -78.54 -49.92 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -57.27 -37.11 71.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.502 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.87 -35.98 75.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.57 -36.52 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.731 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 24' ' ' ILE . 1.6 mm -70.39 -52.34 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.73 -43.66 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -66.31 -49.33 67.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -68.93 -30.97 69.53 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.337 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 110' ' ' VAL . 29.9 tp -74.4 -47.48 33.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.849 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.641 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 13.9 ptm180 -62.0 -29.67 70.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 110.533 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -70.73 -45.39 64.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.55 -34.62 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.4 pt-20 -68.79 -29.39 67.74 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -71.46 -31.35 67.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.658 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -83.89 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.162 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 16.0 mm-40 -107.37 -83.27 0.54 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.418 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' A' ' 35' ' ' GLU . 34.8 t70 -177.81 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -164.04 99.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.14 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.01 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.637 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.37 -179.57 0.13 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.645 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? 54.73 71.82 0.51 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.644 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -154.97 59.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.899 0.381 . . . . 0.0 111.652 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -62.2 1.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -32.84 41.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.09 -43.3 86.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.559 HD12 ' HE1' ' A' ' 48' ' ' TRP . 20.9 tp -57.17 -45.27 83.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.685 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.803 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.2 t -72.53 -42.89 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.038 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -50.87 -58.8 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.69 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' HE1' HD12 ' A' ' 45' ' ' LEU . 24.4 p-90 -66.41 -30.21 70.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.886 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 19' ' ' ARG . 19.3 t80 -61.67 -51.02 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.119 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 12.0 mt -62.69 -41.51 99.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.835 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -67.07 -23.99 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.317 . . . . 0.0 111.844 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -84.39 -37.45 21.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.912 0.387 . . . . 0.0 111.824 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.678 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 38.6 pt -95.46 -10.16 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt-20 -59.24 -23.83 62.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 m -76.61 -28.1 55.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 5.0 pt-20 -93.73 -21.19 19.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.311 0.577 . . . . 0.0 109.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 62' ' ' GLU . 30.5 mm -81.05 91.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.269 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -94.12 -7.23 43.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -118.34 133.56 55.79 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.866 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 64' ' ' ILE . 57.5 tt0 -56.17 -37.98 70.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.24 -48.53 68.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.186 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 57' ' ' ILE . 15.8 mm-40 -55.9 -50.92 69.36 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.892 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 8.8 tp -59.16 -48.32 82.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.231 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 60' ' ' GLU . 45.5 mt -58.76 -39.56 77.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.2 t30 -69.04 -48.43 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.778 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -59.78 -42.08 92.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.934 ' HD2' HD12 ' B' ' 390' ' ' LEU . 88.3 mttt -68.23 -35.35 77.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.841 0.353 . . . . 0.0 110.408 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.3 ttt180 -64.87 -46.92 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.0 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 65' ' ' ASN . 45.5 mm -66.9 -48.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.158 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.577 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.9 tp -58.99 -41.69 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.114 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.52 -45.9 71.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.137 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -61.45 -39.19 89.93 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HG21 ' A' ' 20' ' ' ILE . 38.7 t -65.41 -46.85 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.589 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.93 -42.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.998 0.428 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -63.24 -40.32 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.237 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.658 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 42.7 ttp180 -70.66 -42.48 70.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.815 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.6 tt -56.08 -40.13 73.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.28 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.659 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 4.2 p -87.1 3.35 46.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.724 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -141.6 -82.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.658 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.0 m-85 -55.71 -52.08 65.1 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 47.4 m-20 -69.31 -39.51 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 56.85 39.56 29.47 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.886 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.549 HG23 ' HG ' ' A' ' 77' ' ' LEU . 6.7 m -103.47 11.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.518 0.675 . . . . 0.0 109.893 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -90.95 155.43 18.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.921 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.861 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.2 mt -128.09 136.13 61.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 CA--C 1.517 -0.294 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.38 119.18 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.861 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -140.69 153.65 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 28' ' ' LEU . 3.4 p -115.82 144.83 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.516 0.198 . . . . 0.0 111.358 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.8 t30 -78.75 131.01 68.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.899 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 17.3 Cg_exo -67.58 -5.27 13.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.984 2.456 . . . . 0.0 112.964 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.82 -67.85 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.321 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 83' ' ' VAL . 1.6 t80 59.87 -164.46 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.511 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 O-C-N 122.131 -0.355 . . . . 0.0 111.75 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.934 HD12 ' HD2' ' A' ' 67' ' ' LYS . 6.1 tp . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 15.7 tt0 -57.58 -29.94 64.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -22.36 62.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.487 0.661 . . . . 0.0 110.556 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 63' ' ' LEU . 9.2 mt -72.34 -31.65 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.05 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 22.2 ptt85 -59.64 -32.27 70.29 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.132 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -85.06 -30.11 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.234 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 36.8 m-85 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -54.73 -48.66 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.047 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.89 -43.16 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.568 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 31.7 m-85 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -61.5 -43.19 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -48.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.423 . . . . 0.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -57.54 -43.31 84.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.39 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.04 -41.3 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.079 0.466 . . . . 0.0 110.355 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.431 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.3 mm -65.76 -47.82 84.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.88 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.64 -49.71 79.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.757 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.53 -49.1 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.628 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HE1' ' HA ' ' A' ' 40' ' ' LEU . 57.8 t-80 -57.78 -46.83 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.74 -38.68 89.79 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.679 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.19 -45.81 91.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 110.661 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.21 -41.91 84.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.34 0.59 . . . . 0.0 110.08 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.48 -51.7 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.453 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.904 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 14.3 pt-20 -61.32 -31.69 71.55 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.787 0.327 . . . . 0.0 111.385 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.83 -38.63 61.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -85.77 -63.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -115.76 -0.03 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.904 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER 69.13 -75.42 0.07 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.412 0.685 . . . . 0.0 112.19 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -113.0 84.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 29.69 7.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HG22 ' A' ' 109' ' ' VAL . . . 53.8 -149.01 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.634 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.512 ' HA ' ' HE1' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -155.95 -37.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.555 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.465 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.2 mttp 65.73 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.66 0.6 . . . . 0.0 110.617 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.613 ' HB3' HG21 ' A' ' 74' ' ' ILE . 1.7 ptm180 -53.49 -52.61 59.02 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -58.46 -37.85 76.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.25 . . . . 0.0 111.546 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.21 -43.56 51.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 48' ' ' TRP . 3.6 mt -53.74 -51.79 62.21 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.466 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.862 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 31.7 t -66.0 -40.8 88.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.745 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 43' ' ' SER . 62.2 t30 -52.01 -60.7 2.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.861 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.452 ' HE1' HD23 ' A' ' 45' ' ' LEU . 53.7 p-90 -68.12 -28.85 67.68 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.094 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 33.7 t80 -60.81 -46.39 90.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.169 0.509 . . . . 0.0 109.897 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.862 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 18.1 mt -62.24 -41.3 98.3 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -62.7 -23.77 67.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.44 -25.59 28.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' ILE . 31.5 pt -112.78 -4.21 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 11.5 pt-20 -61.6 -21.97 64.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 m -90.1 -19.64 24.08 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.983 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.3 pt-20 -86.28 -29.5 23.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 62' ' ' GLU . 37.4 mm -76.93 124.83 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.831 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -113.68 -23.64 9.61 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.48 0.657 . . . . 0.0 109.773 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.556 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 3.2 m -111.06 158.19 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.156 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -38.21 78.52 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.001 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.21 -45.72 83.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.793 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.906 ' HB2' HG23 ' A' ' 57' ' ' ILE . 15.8 mt-10 -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.74 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.707 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 9.7 tp -65.16 -48.29 74.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.682 ' HA ' HD11 ' B' ' 390' ' ' LEU . 96.8 mt -60.54 -40.6 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -47.88 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.737 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -62.68 -47.48 83.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.401 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.707 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 58.1 mttt -67.88 -34.72 77.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.91 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 41.8 ttp180 -63.51 -44.3 94.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.359 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.31 -49.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.789 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.685 HG21 HG13 ' A' ' 46' ' ' VAL . 10.0 tp -56.16 -44.33 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.91 -37.22 67.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.248 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 31.0 ttpt -65.01 -37.62 88.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.98 -44.44 99.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 42' ' ' ARG . 55.7 mt -65.12 -39.87 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.421 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.79 -36.65 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.522 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 44.3 ttp180 -71.53 -44.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.887 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 16.1 tp -56.95 -40.85 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.898 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.838 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.3 p -83.24 -2.1 54.76 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -132.1 -76.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.939 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.757 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 48.4 m-85 -61.66 -50.22 73.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.569 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.887 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 22.7 m-20 -65.34 -51.86 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 59.68 29.72 19.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.249 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 81' ' ' ASP . 8.1 p -111.88 30.47 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 122.586 1.184 . . . . 0.0 109.736 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.838 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.0 OUTLIER -90.44 160.47 16.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.546 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.785 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 10.2 mt -123.04 127.86 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 110.743 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 98.1 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.715 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 84' ' ' LEU . 74.0 mt -109.13 135.78 49.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.083 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.785 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 4.6 t -125.72 166.23 22.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.932 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 109' ' ' VAL . 11.8 p -126.47 139.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -67.94 136.21 92.06 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.84 -19.67 40.2 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.891 2.394 . . . . 0.0 112.339 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.82 62.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 109.23 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 77' ' ' LEU . 56.4 t80 -94.15 119.92 33.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.722 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.689 ' HA ' HD13 ' B' ' 393' ' ' ILE . 2.5 tp . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.876 0.369 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 6.2 mm-40 -64.91 -14.1 58.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.229 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.89 -22.67 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 109.671 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.689 HD13 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -62.06 -38.67 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.305 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 7.7 ptp180 -60.86 -29.42 69.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.22 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.09 -39.02 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.493 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' CB ' ' A' ' 17' ' ' TYR . 98.0 m-85 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.927 0.394 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -47.91 84.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.25 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.6 71.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.67 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' PHE . 1.9 t80 -58.4 -43.6 88.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.426 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.02 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.736 0.303 . . . . 0.0 111.596 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.5 -38.86 71.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.871 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 73' ' ' VAL . 1.6 mp -77.78 -48.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.489 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 p -53.34 -44.96 68.9 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.602 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.513 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -64.64 -37.22 86.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.79 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -60.08 -36.82 78.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 23' ' ' LEU . 3.1 mm -70.28 -51.91 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 22' ' ' ASN . 7.2 p -66.69 -39.98 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.25 -47.36 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.653 0.263 . . . . 0.0 111.491 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -63.5 -42.46 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 112' ' ' PRO . 1.9 tm? -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.132 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 ptm180 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -72.75 -52.68 14.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.781 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.06 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -72.07 -27.9 62.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.087 -0.383 . . . . 0.0 111.546 -179.578 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.48 -39.13 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.26 -64.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.4 pt-20 -94.69 -8.11 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.9 m-20 61.29 32.99 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.235 0.54 . . . . 0.0 110.596 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -125.77 94.02 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.748 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -83.68 -23.6 31.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.128 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . . . -90.55 125.34 35.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.84 -164.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -88.36 130.28 35.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -28.83 65.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.4 -35.6 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.17 -53.35 44.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.0 -36.15 50.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -52.74 -59.15 4.84 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -67.49 -29.82 69.35 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.965 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -57.84 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.15 -42.64 68.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.728 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.78 -32.14 69.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.744 0.307 . . . . 0.0 111.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -69.6 -30.36 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 57' ' ' ILE . 33.5 pt -104.91 -8.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.55 -17.78 48.17 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.25 -28.35 47.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.1 pt-20 -98.3 -18.58 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.983 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 63' ' ' LEU . 34.1 mm -67.67 114.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.599 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -110.72 -13.19 14.22 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 m -129.73 130.31 45.28 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.697 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -27.86 63.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -51.93 -39.35 59.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.52 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.46 -51.98 17.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.552 HG23 HD21 ' B' ' 390' ' ' LEU . 83.5 mt -62.88 -36.56 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.391 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' HG12 ' A' ' 69' ' ' ILE . 4.0 t30 -64.41 -55.05 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.498 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 70' ' ' ILE . 20.3 mmtp -57.85 -44.89 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.993 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.575 ' NZ ' HD13 ' A' ' 50' ' ' LEU . 2.1 tppt? -62.06 -44.94 95.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -62.7 -41.07 98.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 65' ' ' ASN . 49.1 mm -69.0 -51.26 45.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 66' ' ' LYS . 7.7 tp -61.58 -41.07 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.87 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.75 -43.19 98.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -63.83 -41.95 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.585 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 20' ' ' ILE . 74.9 t -64.24 -41.02 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.256 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -38.9 83.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.44 -35.76 81.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.635 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.784 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 45.2 ttm105 -72.35 -47.34 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.562 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -83.97 -15.62 47.12 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -124.4 -73.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 49.5 m-85 -50.98 -65.69 0.51 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.609 0.568 . . . . 0.0 111.534 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -70.15 -45.47 66.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.871 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 55.53 36.02 26.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.81 14.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.335 0.588 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.13 122.56 33.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.894 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.742 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.5 mt -90.46 132.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.349 179.645 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.454 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 71.8 m-85 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 111.512 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.07 122.89 47.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.134 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.742 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -125.35 139.19 51.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.065 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.515 HG13 ' HG ' ' A' ' 28' ' ' LEU . 7.7 p -110.54 155.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 113' ' ' ASN . 3.1 p-10 -62.94 152.49 83.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' LEU . 50.7 Cg_endo -71.19 11.59 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.86 2.374 . . . . 0.0 112.675 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 111' ' ' ASN . 8.2 p30 -139.83 -156.83 0.71 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.9 t80 177.16 147.83 0.12 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.497 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.679 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 64' ' ' ILE . 18.5 tp . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.598 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.91 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.236 0.541 . . . . 0.0 110.152 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.25 -36.23 77.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.106 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.51 ' HA ' ' HG3' ' B' ' 396' ' ' LYS . 1.4 mp -60.99 -35.58 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.838 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' B' ' 394' ' ' ARG . 1.7 mmm180 -68.96 -29.43 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.429 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -36.5 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.51 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.578 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.777 0.322 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -61.37 -40.0 92.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -70.86 -40.68 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -60.3 -48.59 81.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 6.1 t -59.95 -34.77 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.647 0.26 . . . . 0.0 110.763 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 13.5 tpt180 -70.34 -39.1 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.93 -49.37 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.645 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 m -58.12 -30.65 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.72 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -63.97 -33.39 75.63 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.154 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.18 -37.83 86.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.094 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.9 mm -59.59 -52.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.329 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.14 -43.51 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.75 -50.85 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.2 t60 -62.32 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.823 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.35 -44.43 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 58.5 mtt180 -55.68 -42.33 75.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 111.09 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -72.08 -43.98 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.776 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 38' ' ' SER . 75.1 t -64.92 -46.59 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.182 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.2 pt-20 -61.34 -28.35 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 110.663 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.16 -38.87 56.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.29 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 6.8 pt-20 -109.83 -13.5 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.842 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 24.0 t70 71.89 -34.4 0.3 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.036 0.534 . . . . 0.0 112.407 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 35' ' ' GLU . 60.3 mt-10 -105.33 89.41 3.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.574 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.541 ' HA ' HG11 ' A' ' 31' ' ' VAL . 56.6 p -57.09 -46.13 82.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 107' ' ' TYR . . . 52.41 -150.08 0.34 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.732 ' H ' ' HD2' ' A' ' 107' ' ' TYR . 1.4 tp -56.0 116.65 3.11 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -170.03 32.66 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.934 178.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -61.12 -50.97 71.07 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 45.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.76 -40.24 94.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.434 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -49.13 66.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.15 0.5 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.794 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 9.8 t -72.93 -38.94 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.292 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 65.5 t30 -49.59 -58.83 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.8 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -67.74 -29.87 69.2 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.896 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 23' ' ' LEU . 23.2 t80 -61.2 -46.69 89.42 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.392 0.615 . . . . 0.0 109.778 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 17.9 mt -69.03 -42.92 75.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 24.8 mmtp -56.21 -30.46 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.532 0.52 . . . . 0.0 111.393 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.11 -52.89 5.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.01 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 57' ' ' ILE . 26.5 pt -70.72 -23.08 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 17.0 pt-20 -62.85 -13.31 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -70.38 -27.17 64.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.815 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -105.42 -9.21 17.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.034 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.836 HG23 ' HB2' ' A' ' 62' ' ' GLU . 44.8 mm -76.89 119.36 25.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.422 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -116.71 -15.3 10.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.354 0.597 . . . . 0.0 110.029 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -117.58 145.75 44.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.772 -178.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 64' ' ' ILE . 33.6 tt0 -62.22 -37.96 87.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.9 -37.55 76.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.386 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.836 ' HB2' HG23 ' A' ' 57' ' ' ILE . 24.9 mt-10 -63.24 -46.63 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.452 0.644 . . . . 0.0 109.986 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.774 HD23 HG12 ' B' ' 393' ' ' ILE . 7.4 tp -64.29 -44.44 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 96.7 mt -65.27 -44.63 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.726 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.7 -51.68 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 53' ' ' ILE . 33.5 mmtm -58.56 -43.4 89.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.995 ' HD3' HD12 ' B' ' 390' ' ' LEU . 16.9 mttp -68.78 -32.12 71.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.316 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -75.95 -36.8 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.796 0.332 . . . . 0.0 111.377 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.7 mm -73.14 -43.01 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.741 0.305 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.665 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -60.86 -40.98 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.84 -28.88 64.92 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.194 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -67.41 -48.52 67.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.41 -38.98 82.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.944 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.77 -43.7 98.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 109.935 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.35 -36.6 84.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.467 0.651 . . . . 0.0 109.371 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.828 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 10.8 ttm180 -66.06 -40.46 90.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.855 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 59.1 tp -62.51 -29.15 70.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.23 4.25 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -144.78 -70.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.865 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.828 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 62.2 m-85 -60.72 -55.33 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.813 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.617 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 74.8 m-20 -64.83 -45.84 84.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t60 61.99 19.83 11.07 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.162 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' ASP . 7.4 m -101.51 18.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 122.096 -0.377 . . . . 0.0 110.965 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 108' ' ' LEU . 1.4 tt -92.31 130.09 38.09 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.839 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 12.1 mt -96.05 132.35 40.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.245 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.176 0.512 . . . . 0.0 110.42 179.052 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.732 ' HD2' ' H ' ' A' ' 40' ' ' LEU . 77.1 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.592 0.234 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 84' ' ' LEU . 1.3 mm? -95.82 119.88 35.09 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.22 0.533 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.839 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 2.1 t -118.04 160.4 17.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.084 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.4 HG23 HD11 ' A' ' 77' ' ' LEU . 13.0 p -128.21 148.45 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.372 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -78.59 146.01 68.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.148 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.03 -22.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.78 2.32 . . . . 0.0 112.906 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -103.68 82.2 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.407 0.623 . . . . 0.0 110.522 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -80.6 140.8 35.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.191 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.995 HD12 ' HD3' ' A' ' 67' ' ' LYS . 1.4 tp . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.879 0.371 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 35.9 mt-10 -62.55 -16.24 55.09 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.416 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.544 ' HD3' ' HE2' ' A' ' 51' ' ' LYS . 31.2 tpt180 -84.16 -23.98 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.318 0.58 . . . . 0.0 110.186 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.774 HG12 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -62.1 -33.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.403 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 12.1 ptp180 -62.31 -23.61 66.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -84.89 -31.93 23.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? . . . . . 0 C--O 1.234 0.274 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.175 178.283 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.626 0.251 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -55.34 -48.59 73.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -39.87 95.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -58.54 -47.57 83.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 9.3 m -62.61 -36.75 83.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 12.3 tpt180 -65.9 -37.13 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' HD3' ' A' ' 66' ' ' LYS . 1.2 mp -76.49 -49.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.426 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 24' ' ' ILE . 6.0 m -61.67 -34.06 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.712 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' SER . 37.1 t30 -63.53 -32.62 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.974 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -57.4 -44.28 84.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.661 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 9.1 tp -67.62 -33.75 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.549 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -75.95 -45.69 36.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.994 0.426 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 34.9 mt -62.68 -48.84 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.255 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 31' ' ' VAL . 29.7 t60 -69.3 -36.55 77.12 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.106 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.0 -49.18 71.24 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.868 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.8 ptm180 -59.38 -31.83 69.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.673 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -72.16 -43.66 64.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 40' ' ' LEU . 44.2 t -64.53 -46.51 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.192 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 3.3 pt-20 -63.25 -28.93 70.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -79.75 -31.98 41.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.002 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -81.54 -67.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.618 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 7.1 pt-20 -103.65 -17.46 15.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 16.4 t70 72.06 -8.1 1.2 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.978 0.418 . . . . 0.0 111.852 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.01 -39.07 79.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.256 0.551 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 7.2 m 60.95 19.53 9.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.515 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.57 104.87 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 31' ' ' VAL . 1.5 mm? -107.25 -169.06 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.499 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' A' ' 44' ' ' GLU . 73.0 mmtt -97.81 141.35 30.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -57.33 -55.68 31.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.336 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -30.34 70.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.663 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' CB ' ' HB2' ' A' ' 41' ' ' LYS . 35.9 tt0 -59.05 -50.03 75.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.744 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.546 HD13 ' HE1' ' A' ' 48' ' ' TRP . 1.6 mm? -52.35 -47.47 66.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 111.425 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.831 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 24.2 t -72.85 -42.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -49.71 -56.78 8.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.727 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.546 ' HE1' HD13 ' A' ' 45' ' ' LEU . 50.9 p-90 -69.1 -28.11 66.2 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.043 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CD1' HD13 ' A' ' 23' ' ' LEU . 26.2 t80 -62.38 -47.55 83.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 109.532 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 ' HE3' ' A' ' 67' ' ' LYS . 13.8 mt -64.41 -43.91 92.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.494 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 16.1 mmtt -59.04 -27.32 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.367 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.48 -50.88 8.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' O ' HG12 ' A' ' 57' ' ' ILE . 30.3 pt -68.38 -26.08 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.987 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 63' ' ' LEU . 5.1 mt-10 -63.19 -15.86 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -85.14 -15.25 44.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 8.2 pt-20 -114.32 -31.07 6.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.616 0.246 . . . . 0.0 111.236 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.841 HG21 ' HB2' ' A' ' 63' ' ' LEU . 24.6 mm -62.36 118.56 4.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.215 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -108.47 -13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.186 0.517 . . . . 0.0 110.585 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 1.4 m -118.76 130.47 55.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.121 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.77 -36.13 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.739 -0.209 . . . . 0.0 111.287 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.65 -43.03 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.578 0.549 . . . . 0.0 110.073 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.814 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.4 mm-40 -62.58 -55.56 26.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.689 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.841 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.1 tp -59.51 -51.46 69.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.791 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.776 ' HA ' HD11 ' B' ' 390' ' ' LEU . 65.4 mt -56.9 -39.19 63.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.17 -49.45 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.709 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HD3' HD11 ' A' ' 20' ' ' ILE . 17.6 mmtp -56.55 -44.98 81.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.915 ' HE3' HD13 ' A' ' 50' ' ' LEU . 36.3 mttp -65.97 -32.92 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.28 -44.32 59.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -63.87 -49.81 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.267 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 46' ' ' VAL . 9.2 tp -56.54 -41.91 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.527 0.203 . . . . 0.0 111.0 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.19 -44.82 75.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.12 0.486 . . . . 0.0 110.018 179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.574 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.7 -43.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.53 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.0 mt -62.34 -40.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.13 0.491 . . . . 0.0 109.694 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.908 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.825 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 3.3 ttt180 -68.56 -44.5 74.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.58 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.753 HD11 HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -65.51 -32.61 74.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.97 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' HG ' ' A' ' 84' ' ' LEU . 4.1 p -86.37 -1.42 57.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -135.23 -71.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.952 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.825 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.7 m-85 -61.27 -57.56 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.775 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 62.3 m-20 -67.19 -46.99 72.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.85 0.357 . . . . 0.0 110.069 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.56 33.07 11.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.445 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.47 10.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.235 0.54 . . . . 0.0 110.316 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 77' ' ' LEU . 1.3 tm? -91.0 130.55 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.446 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.897 ' HB ' HG13 ' A' ' 109' ' ' VAL . 12.8 mt -98.04 120.4 47.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.819 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.068 179.548 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 108' ' ' LEU . 48.1 m-85 . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 110.733 -0.099 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.551 HD12 HD11 ' A' ' 84' ' ' LEU . 1.6 mm? -120.05 122.43 41.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.666 0.27 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.897 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -137.62 138.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.24 157.13 36.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.419 -0.176 . . . . 0.0 110.717 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.16 137.37 21.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.743 0.306 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.55 -2.4 8.31 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.4 2.733 . . . . 0.0 113.095 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.99 -46.83 15.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 t80 53.91 -150.36 0.39 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.988 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.45 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 64' ' ' ILE . 7.6 tp . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -65.1 -29.22 70.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.44 . . . . 0.0 110.94 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.406 ' HD3' HH11 ' B' ' 392' ' ' ARG . 7.1 tpp180 -60.13 -29.66 68.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.499 0.666 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 67' ' ' LYS . 58.3 mt -61.77 -24.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.779 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -59.1 -36.46 75.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 0.0 110.42 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -92.48 -13.02 30.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 11.0 tttm . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.662 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.899 0.381 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -66.64 -44.39 82.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.32 -48.45 67.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.843 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 23.3 m-85 -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.762 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -66.02 -40.13 90.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.204 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -58.69 -48.76 80.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.546 ' CG2' HG21 ' A' ' 73' ' ' VAL . 1.4 mp -65.96 -46.67 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -58.6 -38.03 77.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 22' ' ' ASN . 1.8 t-20 -64.78 -39.64 93.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 109.629 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.43 -38.4 80.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.512 178.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.7 mm -63.11 -52.26 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.36 -36.18 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.587 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.1 mt -68.28 -50.52 53.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.6 t60 -57.8 -47.78 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD22 HG13 ' A' ' 110' ' ' VAL . 39.3 tp -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.4 ptm180 -62.37 -32.26 73.03 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.659 0.266 . . . . 0.0 110.767 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.76 -43.99 62.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.184 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 27' ' ' HIS . 38.9 t -58.4 -53.37 47.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.743 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.3 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 111.193 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.42 -24.71 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -90.81 -61.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 37' ' ' GLU . 13.4 pt-20 -106.7 -1.89 22.24 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.8 m-20 65.53 12.81 8.47 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 21.3 mt-10 -122.53 92.88 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.581 0.229 . . . . 0.0 110.615 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.14 -15.44 62.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.514 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -81.61 103.42 11.31 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.11 -163.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -95.92 142.99 27.5 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.983 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 74' ' ' ILE . 54.1 ttt180 -75.07 -44.32 48.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.546 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -60.79 -37.98 83.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 111.067 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.81 -32.25 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.682 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.8 t -71.99 -35.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.536 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -55.9 -58.07 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.68 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 27' ' ' HIS . 27.7 p-90 -67.64 -29.33 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.992 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t80 -59.4 -50.55 73.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.145 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.799 HD13 ' HE3' ' A' ' 67' ' ' LYS . 14.5 mt -62.73 -40.64 97.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.193 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -28.61 68.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.089 0.471 . . . . 0.0 111.438 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.25 -41.72 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.592 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.4 pt -73.69 -25.47 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.28 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.609 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 7.7 pt-20 -59.27 -21.84 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.698 0.285 . . . . 0.0 111.476 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -68.42 -19.72 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.707 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 -116.74 -6.35 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 62' ' ' GLU . 23.5 mm -84.64 108.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -17.21 20.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.259 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -120.8 134.79 55.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.244 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.44 72.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.471 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -56.29 -40.29 74.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.281 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.808 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.3 mm-40 -62.58 -50.37 71.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 57' ' ' ILE . 34.9 tp -61.53 -35.84 78.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.715 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.789 ' HA ' HD11 ' B' ' 390' ' ' LEU . 87.9 mt -69.95 -45.76 75.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.103 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.02 -48.02 82.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.078 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' HD13 ' A' ' 53' ' ' ILE . 3.5 tppt? -59.15 -36.38 75.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.808 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.799 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.05 -38.75 82.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.417 . . . . 0.0 110.343 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -64.43 -45.19 88.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.911 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -50.46 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.606 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -58.2 -40.45 77.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.586 0.231 . . . . 0.0 111.401 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.31 -41.0 67.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 0.0 110.061 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.59 -47.46 86.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.504 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 20' ' ' ILE . 32.0 m -64.09 -36.23 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.124 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 42' ' ' ARG . 76.8 mt -69.71 -36.24 69.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -68.26 -38.04 81.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.617 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 25.4 ttp180 -67.7 -41.01 84.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 41.1 tp -63.1 -41.77 99.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.481 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 HD13 ' A' ' 84' ' ' LEU . 7.7 p -80.33 4.69 17.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -139.09 -69.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.624 -0.43 . . . . 0.0 112.006 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.617 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 83.6 m-85 -64.64 -56.6 12.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.689 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -57.98 -50.54 73.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.62 19.18 11.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.46 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 115' ' ' LEU . 15.8 m -97.52 20.8 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.708 0.766 . . . . 0.0 110.253 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 78' ' ' THR . 1.3 pt? -90.89 153.64 20.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.86 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.899 ' HB ' HG13 ' A' ' 109' ' ' VAL . 11.3 mt -124.08 136.92 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.6 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 42.6 m-85 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.616 0.246 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 125.06 46.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.149 0.499 . . . . 0.0 110.973 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.899 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -136.76 142.9 36.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.705 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.683 HG13 HD22 ' A' ' 28' ' ' LEU . 10.9 p -115.77 146.97 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -67.95 142.33 95.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.358 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.13 -10.83 22.3 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.086 2.524 . . . . 0.0 112.785 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -69.92 -78.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.103 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.3 t80 65.99 142.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.621 0.724 . . . . 0.0 112.251 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.789 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -64.01 -29.02 70.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.189 0.519 . . . . 0.0 110.513 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -65.45 -28.17 69.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.5 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 63' ' ' LEU . 12.8 mm -68.41 -23.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.213 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 394' ' ' ARG . 55.5 mtt85 -62.88 -28.67 70.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.56 -29.21 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.543 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 -179.8 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -25.85 64.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HG2' HD21 ' A' ' 65' ' ' ASN . 1.7 mp0 -64.84 -44.09 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.884 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.08 -40.82 86.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -61.79 -40.11 94.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.912 0.387 . . . . 0.0 110.374 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.47 HG21 HG22 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -63.25 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -64.45 -35.02 79.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' SER . 27.7 t30 -62.18 -36.26 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.12 -37.49 80.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.883 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.484 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.2 mm -62.93 -53.15 50.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.871 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.41 -39.87 72.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.402 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 30.7 mt -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.609 0.243 . . . . 0.0 111.507 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' HD2' HD22 ' A' ' 40' ' ' LEU . 72.3 t60 -66.58 -41.05 89.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 38' ' ' SER . 2.4 tm? -60.33 -50.78 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.269 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 4.5 ptm180 -66.5 -30.06 70.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.421 . . . . 0.0 111.188 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -68.13 -48.91 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.56 -32.51 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.484 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.65 -28.73 61.93 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.574 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -89.03 -44.31 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -84.33 -64.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 0.0 111.945 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -75.6 -14.56 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.762 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.1 t0 58.1 32.75 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -143.18 104.96 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.51 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB3' HD21 ' A' ' 28' ' ' LEU . 15.6 m -74.78 3.85 7.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.104 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.87 116.48 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.349 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 HD22 ' HD2' ' A' ' 27' ' ' HIS . 1.1 pp -126.22 160.75 29.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -89.83 120.77 31.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.553 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.55 -40.5 71.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.072 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -71.23 -32.97 69.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.97 0.414 . . . . 0.0 110.898 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -76.01 -36.1 59.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD12 ' HE1' ' A' ' 48' ' ' TRP . 39.4 tp -56.21 -49.46 74.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.574 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.77 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.7 t -71.11 -32.26 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -54.31 -60.56 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.992 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.429 ' HE1' HD12 ' A' ' 45' ' ' LEU . 58.4 p-90 -67.24 -28.8 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.338 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.5 t80 -60.52 -45.5 93.58 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.77 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -71.84 -42.3 67.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.004 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -59.01 -27.28 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.904 0.383 . . . . 0.0 111.145 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 60.0 mm-40 -85.02 -48.85 8.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.693 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.8 pt -70.54 -27.44 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.941 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 7.5 pt-20 -60.12 -22.28 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -72.92 -22.18 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.58 -17.28 13.77 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.896 HG21 ' HB2' ' A' ' 63' ' ' LEU . 31.8 mm -70.37 107.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.29 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.27 -7.38 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -124.77 130.34 52.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.425 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.99 -36.28 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.99 -34.85 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.067 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.787 ' HB3' HD12 ' A' ' 57' ' ' ILE . 7.3 mm-40 -64.25 -49.3 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.501 0.667 . . . . 0.0 109.897 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.896 ' HB2' HG21 ' A' ' 57' ' ' ILE . 13.0 tp -64.67 -44.69 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.38 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.85 -44.62 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.41 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.458 HD21 ' HG2' ' A' ' 16' ' ' GLU . 3.2 t30 -63.99 -50.71 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.287 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -56.93 -42.32 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.627 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.732 ' HZ3' HD11 ' B' ' 393' ' ' ILE . 0.2 OUTLIER -70.54 -37.66 74.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.624 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -59.93 -41.55 92.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.045 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.47 HG22 HG21 ' A' ' 20' ' ' ILE . 36.4 mt -72.71 -50.22 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.387 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.4 tp -59.81 -39.44 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -36.74 73.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.19 -50.83 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.652 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.65 -36.99 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.977 ' HA ' HD23 ' A' ' 77' ' ' LEU . 74.8 mt -68.6 -47.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -63.7 -36.2 83.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.353 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.761 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 11.2 ttt180 -71.07 -46.19 62.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -55.75 -34.08 64.88 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.3 t -92.13 -36.86 13.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -85.21 -72.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.761 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 38.9 m-85 -65.4 -51.31 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.073 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -74.65 -33.37 62.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m170 58.84 36.63 24.79 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.069 0.938 . . . . 0.0 108.54 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.746 HG13 ' HG3' ' A' ' 112' ' ' PRO . 1.0 OUTLIER -91.04 -13.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 113.812 -1.54 . . . . 0.0 111.431 -177.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.481 HD13 HD11 ' A' ' 77' ' ' LEU . 20.2 tp -89.16 141.04 28.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.323 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.918 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.6 mp -108.26 136.37 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.441 -0.892 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 84' ' ' LEU . 68.7 mt -96.25 136.53 36.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 112.476 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.918 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -145.93 142.47 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.005 178.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.63 103.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.555 ' ND2' HD11 ' A' ' 28' ' ' LEU . 18.6 m120 -143.91 70.1 16.7 Favored Pre-proline 0 CA--C 1.507 -0.69 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.417 176.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.746 ' HG3' HG13 ' A' ' 83' ' ' VAL . 23.7 Cg_endo -94.82 11.75 1.59 Allowed 'Trans proline' 0 N--CA 1.442 -1.549 0 N-CA-C 107.117 -1.916 . . . . 0.0 107.117 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 60.16 55.53 3.64 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -35.85 130.51 0.59 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 112.54 -2.118 . . . . 0.0 113.007 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.667 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.846 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.574 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 15.2 tp . . . . . 0 N--CA 1.46 0.043 0 CA-C-O 120.518 0.199 . . . . 0.0 110.487 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.623 ' HG3' ' HD3' ' B' ' 394' ' ' ARG . 31.7 tt0 -64.59 -24.28 67.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.065 0.46 . . . . 0.0 110.009 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.497 HH22 ' CD ' ' A' ' 54' ' ' GLU . 58.1 ttt180 -61.63 -28.97 69.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 109.637 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.732 HD11 ' HZ3' ' A' ' 67' ' ' LYS . 1.5 mp -61.22 -31.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.981 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.623 ' HD3' ' HG3' ' B' ' 391' ' ' GLU . 19.4 mtp180 -70.11 -25.41 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -90.25 -39.15 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.318 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 10.5 p90 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -60.33 -48.21 82.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.02 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.41 -34.46 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.238 0.542 . . . . 0.0 109.753 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 63.6 m-85 -62.11 -49.25 76.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.799 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 m -54.89 -43.21 73.0 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.414 0.446 . . . . 0.0 111.704 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 19.5 mmm-85 -62.21 -49.67 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.182 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 1.7 mp -66.54 -45.85 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 m -57.08 -42.49 80.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.47 -37.55 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.59 -41.21 89.75 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -63.37 -47.99 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.185 179.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.77 -50.86 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.326 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.98 -50.84 71.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -66.11 -35.57 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.705 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -45.95 88.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -59.78 -36.55 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.281 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.48 -55.55 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.19 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.96 -38.64 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -67.22 -31.99 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 111.341 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.43 -31.73 42.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.781 0.324 . . . . 0.0 110.977 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -88.82 -66.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 37' ' ' GLU . 14.7 pt-20 -101.54 -16.99 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.674 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 32.8 t70 64.15 32.18 12.79 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.43 0.633 . . . . 0.0 109.961 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 43.1 mt-10 -145.73 111.11 5.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.868 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -106.85 13.08 28.23 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.788 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.666 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -83.86 154.44 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.669 0.271 . . . . 0.0 111.619 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.81 86.19 0.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -175.17 29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.537 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -57.59 -62.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.793 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -79.61 -31.3 41.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.12 -40.8 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.525 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 74' ' ' ILE . 16.2 tp -54.83 -56.37 20.19 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.516 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 46' ' ' VAL . 1.1 p -68.64 -32.63 55.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -59.29 -57.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.726 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -67.54 -35.12 78.46 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.637 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 15.9 t80 -52.13 -51.4 58.15 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.174 0.511 . . . . 0.0 110.934 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.863 HD13 ' HE2' ' A' ' 67' ' ' LYS . 5.8 mt -75.67 -42.74 50.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.691 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.65 -30.96 69.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -78.6 -36.87 43.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.623 0.249 . . . . 0.0 111.168 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.5 pt -90.9 -7.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mt-10 -56.06 -18.31 9.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 111.696 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -36.89 74.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.356 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.42 -15.95 28.12 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.36 0.6 . . . . 0.0 109.502 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 62' ' ' GLU . 33.5 mm -81.91 89.31 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.409 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -90.9 -9.57 45.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.732 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.9 t -119.54 141.78 48.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -60.88 -37.1 81.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.9 -39.45 77.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 57' ' ' ILE . 6.0 mm-40 -63.26 -45.38 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' HE2' ' B' ' 396' ' ' LYS . 23.3 tp -66.65 -44.47 81.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.715 ' HA ' HD11 ' B' ' 390' ' ' LEU . 61.2 mt -64.29 -37.46 79.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.113 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.9 t30 -65.2 -55.1 20.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.582 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.504 ' O ' HG22 ' A' ' 70' ' ' ILE . 6.2 mmtm -61.74 -47.44 85.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.883 ' HD2' HD12 ' B' ' 390' ' ' LEU . 12.6 ttmm -62.08 -48.34 80.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.496 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' HG2' ' A' ' 71' ' ' GLU . 68.5 mtt180 -63.75 -24.94 67.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 65' ' ' ASN . 28.3 mm -78.92 -47.56 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.771 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.7 tp -70.65 -36.87 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' A' ' 68' ' ' ARG . 13.8 pt-20 -68.33 -34.31 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 110.111 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -74.11 -47.02 39.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 70' ' ' ILE . 27.2 m -61.04 -36.61 73.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.932 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 45' ' ' LEU . 70.1 mt -64.91 -44.02 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.891 0.377 . . . . 0.0 110.463 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.03 -36.17 74.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.16 0.505 . . . . 0.0 109.93 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -70.64 -35.96 73.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.786 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.021 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 62.0 tp -58.42 -43.04 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.979 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.63 4.92 26.33 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -134.7 -50.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -102.14 -41.81 6.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 1.021 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 11.0 m-20 -64.05 -49.77 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 24.7 m80 68.27 19.65 8.97 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 0.0 111.164 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 114' ' ' TYR . 51.6 t -85.73 -16.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.77 0.795 . . . . 0.0 110.143 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 108' ' ' LEU . 8.6 tt -90.84 136.4 33.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.002 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.813 ' HB ' HG13 ' A' ' 109' ' ' VAL . 5.1 mp -102.02 131.34 50.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.466 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--N 1.323 -0.584 0 CA-C-O 120.838 0.352 . . . . 0.0 110.612 179.664 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.744 0.307 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.666 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 54.6 mt -92.6 118.99 31.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 120.924 0.392 . . . . 0.0 110.646 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.813 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -121.08 146.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.724 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.56 146.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.581 0.229 . . . . 0.0 110.99 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.49 158.21 36.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.423 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.78 -2.68 8.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.088 2.525 . . . . 0.0 113.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -85.35 23.81 1.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.767 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.754 ' HA ' HG21 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -64.1 -52.5 58.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.02 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.585 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.3 tp . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.36 -24.88 63.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.416 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -66.34 -30.32 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 8.3 mt -66.55 -21.42 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.473 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' B' ' 394' ' ' ARG . 3.5 mmp_? -65.04 -26.78 68.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.024 0.44 . . . . 0.0 110.182 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.32 -23.74 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.785 ' HE2' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.387 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -39.84 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.143 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.42 -40.48 81.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.37 -45.84 83.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -58.93 -42.02 88.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.76 -49.34 77.89 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.034 0.445 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.99 -46.06 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.608 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 m -56.7 -41.76 77.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.58 -45.85 88.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.747 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.16 -40.41 81.31 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.282 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -62.88 -52.37 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.767 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 m -71.14 -36.36 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.608 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 20.5 mt -61.84 -51.1 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.644 0.259 . . . . 0.0 111.297 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.508 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.6 t-80 -64.35 -44.53 91.2 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' HG13 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -60.55 -46.77 88.98 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.8 ptm180 -63.76 -32.87 74.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.626 0.251 . . . . 0.0 111.141 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.52 -39.65 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 0.0 109.45 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 HD11 ' A' ' 40' ' ' LEU . 45.1 t -63.57 -51.78 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.078 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.9 pt-20 -63.15 -28.35 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.746 0.308 . . . . 0.0 111.301 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.76 -47.22 55.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.432 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -95.21 -68.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 13.1 mt-10 -67.2 -35.18 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.59 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.5 t70 76.98 -30.22 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 111.246 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.14 82.62 8.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -72.7 33.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.117 -179.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.38 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.906 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mt 57.99 -136.68 0.95 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.957 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HB3' ' HB2' ' A' ' 44' ' ' GLU . 8.2 tptm -141.25 134.96 30.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.491 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -54.57 -49.88 69.31 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 t -71.27 -28.5 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.604 0.24 . . . . 0.0 111.08 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 41' ' ' LYS . 19.6 tt0 -66.07 -34.74 78.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.051 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 46.9 mt -58.09 -50.16 74.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.087 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.796 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.58 -33.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.571 179.211 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -49.76 -59.2 4.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CH2' HD23 ' A' ' 23' ' ' LEU . 44.7 p-90 -70.03 -29.23 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.421 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -57.43 -47.84 80.71 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.992 HD22 ' HG2' ' A' ' 67' ' ' LYS . 1.9 mt -66.22 -40.61 90.42 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.142 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HE2' ' NH1' ' B' ' 392' ' ' ARG . 17.7 mmtt -58.18 -31.39 67.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.402 0.62 . . . . 0.0 111.655 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -85.94 -43.73 12.96 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.068 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 57' ' ' ILE . 32.2 pt -77.16 -20.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.754 0.311 . . . . 0.0 111.426 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 14.4 pt-20 -69.26 -9.17 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.164 0.506 . . . . 0.0 111.459 -178.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -81.22 -22.9 38.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.067 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.85 -29.52 10.46 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 63' ' ' LEU . 47.7 mm -59.42 111.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.254 0.55 . . . . 0.0 111.64 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -108.65 -17.14 14.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.132 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -114.16 130.32 56.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.375 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' A' ' 64' ' ' ILE . 28.7 tt0 -53.84 -38.86 65.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.366 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -58.06 -39.4 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.718 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB2' HG23 ' A' ' 57' ' ' ILE . 78.8 mm-40 -65.41 -44.21 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.527 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.79 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.0 tp -63.6 -48.17 78.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.243 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.684 ' HA ' HD11 ' B' ' 390' ' ' LEU . 51.7 mt -59.35 -40.96 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.834 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.1 t30 -60.64 -57.02 14.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.542 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 70' ' ' ILE . 38.2 mmtm -56.23 -47.26 78.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.992 ' HG2' HD22 ' A' ' 50' ' ' LEU . 76.5 mttt -65.86 -34.64 78.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -74.38 -38.27 63.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.67 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 65' ' ' ASN . 41.2 mm -68.46 -49.54 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.392 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.524 HG12 ' HB ' ' A' ' 46' ' ' VAL . 7.7 tp -58.64 -44.44 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.526 0.203 . . . . 0.0 110.866 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.14 -44.71 94.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 110.057 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.6 -44.99 85.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.903 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.1 t -63.06 -42.66 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.428 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.5 mt -60.89 -43.63 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -65.97 -37.1 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.43 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.615 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 13.2 ttm180 -70.65 -41.58 71.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.49 -33.48 76.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.786 HG22 ' HG ' ' A' ' 84' ' ' LEU . 8.4 p -86.76 4.23 41.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -60.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 74.5 m-85 -72.98 -55.67 6.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.875 0.369 . . . . 0.0 111.585 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.795 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.61 -45.56 89.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.779 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 65.25 26.21 12.24 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.378 0.608 . . . . 0.0 110.473 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 81' ' ' ASP . 26.9 m -94.97 13.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.559 0.695 . . . . 0.0 109.877 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.786 ' HG ' HG22 ' A' ' 78' ' ' THR . 1.3 tm? -90.28 126.57 35.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.797 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.855 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.0 mt -97.73 126.1 50.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.094 178.733 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.406 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 53.8 m-85 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.577 0.227 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 84' ' ' LEU . 1.4 mm? -104.74 124.3 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.158 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.855 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -137.67 139.3 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.504 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.543 HG13 ' HG ' ' A' ' 28' ' ' LEU . 3.9 p -102.5 143.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.825 0.345 . . . . 0.0 111.238 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.08 149.16 82.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.592 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.13 1.61 7.03 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.46 2.107 . . . . 0.0 111.387 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.19 90.01 3.25 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.467 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.442 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 8.7 t80 -106.59 130.73 54.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.319 -0.727 0 CA-C-O 121.139 0.495 . . . . 0.0 111.486 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.1 mp . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 98.6 mt-10 -64.17 -13.2 46.86 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 111.566 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.661 ' NH1' ' HE2' ' A' ' 51' ' ' LYS . 25.5 ttm180 -84.32 -20.78 31.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.603 0.716 . . . . 0.0 110.09 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.651 HD12 ' HG ' ' B' ' 390' ' ' LEU . 10.7 mt -69.2 -33.46 58.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.094 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 13.2 ptp180 -59.65 -23.59 63.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.574 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -83.23 -31.97 26.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.434 ' HD2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.006 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.6 -39.37 87.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.588 ' HG3' HD21 ' A' ' 65' ' ' ASN . 12.3 mp0 -55.54 -50.98 68.59 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.328 0.585 . . . . 0.0 109.681 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -58.48 -46.3 86.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.724 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -56.17 -45.97 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.687 0.279 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -67.47 -32.96 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.388 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.14 -51.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 25' ' ' VAL . 13.7 m -59.27 -37.45 77.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.13 -36.62 75.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.77 -48.15 80.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' HG11 ' A' ' 110' ' ' VAL . 10.7 tp -70.93 -38.18 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.207 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 21' ' ' SER . 59.8 t -66.56 -47.04 84.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.421 . . . . 0.0 110.059 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.08 -40.31 90.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.123 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -61.82 -41.58 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.38 -45.38 69.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.595 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 85.1 mtt180 -58.67 -34.09 70.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.033 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -71.85 -46.68 57.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 28' ' ' LEU . 25.9 m -73.4 -33.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.765 ' HA ' ' H ' ' A' ' 37' ' ' GLU . 5.5 pt-20 -69.52 -29.31 66.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.46 -39.63 52.75 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.028 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -88.34 -69.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.505 ' HB2' ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -97.05 4.19 51.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.5 m-20 60.19 66.07 1.01 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.634 0.584 . . . . 0.0 111.921 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.765 ' H ' ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt-10 69.26 98.64 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.666 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 35' ' ' GLU . 8.4 m -108.16 16.39 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.78 -159.76 0.31 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.812 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 169.39 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' ' 44' ' ' GLU . 39.0 ttmt -108.32 138.13 45.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 74' ' ' ILE . 50.8 ttt180 -52.23 -61.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 2.5 m -73.82 -30.15 62.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.89 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 37.1 tt0 -64.64 -42.95 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.276 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -50.57 -53.53 29.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 O-C-N 123.471 0.482 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.822 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.64 -37.46 56.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.566 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 43' ' ' SER . 53.3 t30 -52.26 -53.12 47.91 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -70.24 -28.62 65.39 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.651 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CD1' HD13 ' A' ' 23' ' ' LEU . 36.0 t80 -60.6 -49.57 77.01 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.822 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 10.2 mt -59.92 -47.53 85.41 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.124 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' ' HE ' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -55.42 -28.51 54.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -82.85 -37.63 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.704 ' O ' HG12 ' A' ' 57' ' ' ILE . 29.4 pt -90.78 -21.1 6.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.909 ' HG2' HD21 ' A' ' 63' ' ' LEU . 56.7 mt-10 -60.42 -21.99 62.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -29.54 40.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.49 -35.34 12.34 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.054 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.919 HG21 ' HB2' ' A' ' 63' ' ' LEU . 41.1 mm -56.5 118.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.186 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.55 -24.6 14.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.591 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.1 m -113.59 129.57 56.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.363 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.59 -36.87 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.487 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.02 -49.08 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.444 0.465 . . . . 0.0 111.092 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 57' ' ' ILE . 65.7 mm-40 -59.83 -50.58 73.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.919 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -63.08 -52.84 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.642 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 HD21 ' B' ' 390' ' ' LEU . 46.6 mt -57.49 -38.5 63.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 123.319 0.387 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.588 HD21 ' HG3' ' A' ' 16' ' ' GLU . 1.6 t30 -64.31 -47.35 79.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.074 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -58.65 -41.39 85.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.926 ' HD2' HD12 ' B' ' 390' ' ' LEU . 43.8 mttt -68.29 -32.06 71.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 29.7 mtm180 -68.67 -41.7 78.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.0 mm -72.16 -44.32 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.595 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.1 tp -64.04 -41.62 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -32.01 68.9 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.062 -0.399 . . . . 0.0 110.311 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.83 -46.76 70.9 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.35 -39.71 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.657 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 42' ' ' ARG . 73.1 mt -66.24 -45.88 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -64.8 -32.17 73.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.475 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -75.15 -45.86 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.429 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.586 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -57.08 -46.59 82.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.273 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.629 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.9 t -82.45 4.45 24.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -138.03 -69.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.392 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 94.1 m-85 -66.04 -44.75 83.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.586 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 29.1 m-20 -79.81 -53.63 6.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.812 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t60 64.91 26.18 12.8 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.9 13.6 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.929 0.871 . . . . 0.0 110.123 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 78' ' ' THR . 2.3 pt? -94.42 163.05 13.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.585 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.824 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.0 mt -123.75 144.29 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.551 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 84' ' ' LEU . 1.8 mm? -102.77 127.8 49.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.09 0.472 . . . . 0.0 110.77 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.824 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -127.91 139.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 24' ' ' ILE . 10.6 p -105.21 142.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.906 0.384 . . . . 0.0 111.111 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.431 ' OD1' ' HD2' ' A' ' 112' ' ' PRO . 61.5 t30 -75.77 126.28 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.431 ' HD2' ' OD1' ' A' ' 111' ' ' ASN . 12.7 Cg_endo -56.79 -16.64 20.49 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.982 2.455 . . . . 0.0 112.371 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.74 61.67 6.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.99 142.59 30.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.912 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.544 0.211 . . . . 0.0 111.3 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.926 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.1 tp . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.414 0.149 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -54.86 -29.98 56.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.375 0.607 . . . . 0.0 110.592 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.479 ' HE ' ' HE2' ' A' ' 51' ' ' LYS . 1.9 tpp180 -63.61 -41.36 98.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.074 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 9.8 mt -66.92 -26.73 37.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.938 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.38 -37.9 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.28 -32.81 29.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.168 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 39.7 tttp . . . . . 0 C--O 1.231 0.123 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.661 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.742 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 19.1 p90 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -56.99 -39.33 74.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.461 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.3 pm0 -74.71 -32.28 62.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 30.9 m-85 -67.17 -40.23 86.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.019 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -59.49 -40.27 86.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.76 -51.02 68.74 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.84 -47.91 91.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.037 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -64.15 -37.01 85.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 109.851 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.79 -40.78 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.696 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.5 mm -60.59 -52.43 61.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.484 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.66 -35.88 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 11.4 mt -59.08 -48.54 81.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.1 t-80 -70.14 -42.9 71.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 HG13 ' A' ' 110' ' ' VAL . 59.7 tp -60.01 -49.78 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.6 ptm180 -57.66 -32.26 67.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.119 0.485 . . . . 0.0 111.172 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 3.0 mmmp? -73.15 -47.3 45.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 27' ' ' HIS . 76.1 t -59.41 -46.77 92.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.854 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 12.8 pt-20 -64.98 -27.96 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.276 . . . . 0.0 111.073 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -71.87 -46.3 58.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.603 0.24 . . . . 0.0 111.389 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.627 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 2.2 pt-20 -89.41 -69.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.627 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 38.8 mt-10 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.655 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 12.9 t70 71.69 -27.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.89 -11.39 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.159 -0.338 . . . . 0.0 111.873 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG12 ' A' ' 31' ' ' VAL . 67.1 m 61.05 17.15 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.11 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -84.0 136.89 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.679 0.276 . . . . 0.0 110.293 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.74 175.68 10.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.935 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 44' ' ' GLU . 28.8 mtmt -107.64 150.76 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.64 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' HA ' ' A' ' 75' ' ' HIS . 46.3 mtp180 -73.25 -59.17 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.183 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -28.89 67.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 37.9 tt0 -66.11 -39.16 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.564 0.221 . . . . 0.0 110.508 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.02 -52.82 59.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.779 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.2 p -72.71 -35.51 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.575 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -52.28 -56.52 14.2 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 37.0 p-90 -71.14 -28.19 64.1 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 53' ' ' ILE . 32.8 t80 -57.0 -46.03 82.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 2.8 mt -71.34 -44.11 65.72 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.834 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 20.6 mmtt -54.07 -29.7 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -84.66 -44.91 13.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.656 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.9 pt -91.35 -11.44 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.7 pt-20 -67.26 -14.67 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.753 -0.592 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -23.73 24.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.038 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 53' ' ' ILE . 4.8 pt-20 -96.58 -20.72 18.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 63' ' ' LEU . 9.2 mm -63.85 112.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.737 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -93.32 -17.73 23.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.202 -179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -122.63 129.7 52.17 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.687 ' O ' HG12 ' A' ' 64' ' ' ILE . 6.2 tt0 -53.36 -38.73 63.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.304 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.95 -34.17 74.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.842 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.59 -49.22 78.6 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 57' ' ' ILE . 7.9 tp -61.18 -46.15 91.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.255 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 ' O ' ' A' ' 60' ' ' GLU . 6.6 mm -57.06 -52.48 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 109.849 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -50.03 75.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 70' ' ' ILE . 17.7 mmtp -56.85 -45.63 82.3 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.693 ' HA ' HG22 ' A' ' 70' ' ' ILE . 8.3 mtpm? -65.42 -44.76 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.521 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 68' ' ' ARG . 35.6 ttt180 -54.46 -36.86 64.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.39 -50.81 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.6 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.7 tp -58.88 -40.85 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.518 ' HG2' HG21 ' A' ' 46' ' ' VAL . 24.0 mt-10 -75.45 -31.68 60.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.772 -0.58 . . . . 0.0 110.404 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -68.82 -44.67 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.005 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.3 -33.46 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.57 -35.93 74.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 4.5 t60 -71.44 -35.09 70.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 80' ' ' TYR . 16.9 ttm180 -68.21 -42.29 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.871 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -54.94 -38.16 67.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.768 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -12.76 60.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -124.38 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.411 -0.516 . . . . 0.0 112.099 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 89.5 m-85 -55.89 -54.51 43.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.298 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.3 m-20 -70.13 -54.16 14.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.058 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 64.78 24.06 12.78 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.66 0.6 . . . . 0.0 111.218 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 81' ' ' ASP . 19.8 m -91.29 11.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.139 0.495 . . . . 0.0 110.595 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 77' ' ' LEU . 5.5 tp -97.33 127.52 43.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.378 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.914 ' HB ' HG13 ' A' ' 109' ' ' VAL . 9.3 mt -94.0 127.8 45.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.319 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 -179.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 85.4 mt -110.2 132.93 53.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.723 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.914 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.68 138.54 53.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.489 HG13 HD22 ' A' ' 28' ' ' LEU . 8.1 p -109.01 141.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.959 0.409 . . . . 0.0 110.596 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.2 m-20 -84.22 139.12 39.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.284 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 16.5 Cg_exo -68.26 0.99 3.88 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.258 2.639 . . . . 0.0 113.169 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -85.99 20.59 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -63.22 124.75 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.542 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.555 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 17.3 tp . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 3.4 tt0 -66.73 -23.08 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -67.83 -21.59 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.451 0.643 . . . . 0.0 109.647 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HG2' ' B' ' 396' ' ' LYS . 1.6 mp -65.4 -42.36 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 2.1 ptm180 -71.15 -17.94 62.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.956 0.408 . . . . 0.0 110.439 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.24 -37.33 18.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.337 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' A' ' 17' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.848 0.356 . . . . 0.0 111.422 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -54.16 -41.55 68.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.531 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.04 -41.73 70.42 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 24.4 t80 -58.49 -41.34 85.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.031 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.1 m -61.68 -36.84 82.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.05 -47.13 81.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.314 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.28 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -58.38 -44.77 89.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.67 -42.38 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.24 -42.06 85.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.865 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -61.94 -47.19 94.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.23 -49.51 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.05 -46.67 88.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.469 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -59.85 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.2 tm? -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -56.37 -44.65 80.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.07 0.462 . . . . 0.0 110.603 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 9.5 mmmm -69.76 -41.01 75.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 40' ' ' LEU . 41.1 t -63.66 -45.91 96.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.17 -28.33 65.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -85.55 -39.54 17.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -88.75 -61.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.68 -29.26 36.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 70.06 16.82 7.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -134.39 95.12 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.589 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.664 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -74.08 13.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 99.01 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.04 -173.91 3.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 0.0 111.717 -179.068 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -92.16 129.82 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.481 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.75 -40.72 98.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.936 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -66.61 -28.65 68.67 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.998 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -72.78 -34.98 67.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.96 -45.41 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.692 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 26.1 t -70.93 -35.89 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.328 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -55.59 -58.0 9.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.44 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.402 ' CH2' HD23 ' A' ' 23' ' ' LEU . 29.5 p-90 -69.77 -28.87 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.663 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 18.5 t80 -58.45 -49.04 78.75 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 13.2 mt -64.17 -41.44 97.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.718 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 22.8 mmtt -61.05 -38.7 87.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.849 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.16 -35.65 64.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.3 pt -88.79 -8.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.62 -30.0 60.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.777 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -23.59 44.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.112 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 11.6 pt-20 -91.81 -20.11 21.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 0.0 110.258 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 53' ' ' ILE . 44.3 mm -67.29 109.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -102.3 -15.5 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.901 0.857 . . . . 0.0 109.097 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 22.8 t -137.23 135.51 37.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.756 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.295 -179.6 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.85 -33.64 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 31.1 mt-10 -69.63 -49.0 57.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.132 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 tp -64.03 -45.38 89.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.675 ' HA ' HD21 ' B' ' 390' ' ' LEU . 40.3 mt -63.88 -34.16 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.746 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.411 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.7 OUTLIER -68.76 -47.83 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -57.42 -43.6 83.94 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.304 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' LEU . 14.4 mmtt -60.54 -47.5 85.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.099 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 30.7 mtp180 -61.0 -34.88 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.465 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.95 -49.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.671 HG21 HG13 ' A' ' 46' ' ' VAL . 9.9 tp -58.33 -41.63 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -74.98 -32.51 61.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.123 0.487 . . . . 0.0 109.913 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 33.2 ttmt -66.73 -47.57 71.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.209 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.72 -37.06 78.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.144 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 78' ' ' THR . 91.6 mt -66.68 -45.94 87.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.68 -39.48 94.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.662 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 19.0 ttt180 -67.36 -43.3 81.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.2 tp -57.88 -50.88 71.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.513 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.536 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 9.0 t -80.62 3.93 20.32 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -53.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.3 -0.875 . . . . 0.0 112.57 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.662 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.9 m-85 -91.16 -46.54 8.03 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.589 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 t0 -58.98 -57.12 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m80 70.57 18.35 6.49 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.08 5.8 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.931 0.872 . . . . 0.0 109.735 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.536 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -96.99 170.24 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.395 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.85 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.4 mp -122.9 131.2 73.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.322 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.291 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' LEU . 1.2 mm? -129.21 119.94 24.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.246 0.546 . . . . 0.0 111.565 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.85 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -138.54 139.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.583 HG13 ' HG ' ' A' ' 28' ' ' LEU . 12.1 p -118.24 148.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.7 m-20 -87.64 146.86 40.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.738 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 34.4 Cg_exo -59.72 -16.47 37.37 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.835 2.357 . . . . 0.0 112.927 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -85.79 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -63.7 135.13 56.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.237 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.129 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -29.01 25.28 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.15 0.5 . . . . 0.0 110.74 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -81.56 -32.97 31.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.042 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.557 HG13 HD23 ' B' ' 390' ' ' LEU . 14.7 mm -65.8 -45.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.871 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.28 -28.38 69.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.038 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -81.16 -27.79 35.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 109.666 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 32.8 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.962 0.41 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -49.25 78.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.785 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.63 -37.97 70.82 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 93.2 m-85 -60.33 -35.8 76.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.41 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -67.1 -27.68 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -79.04 -46.35 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.283 0.563 . . . . 0.0 109.924 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -46.05 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.674 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.2 p -58.06 -39.55 78.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 110.341 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 25' ' ' VAL . 6.4 t-20 -66.0 -42.29 89.94 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.632 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.29 -39.5 83.19 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.503 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -66.68 -52.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 22' ' ' ASN . 10.9 p -67.95 -39.4 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.613 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 23.7 mt -64.64 -51.77 60.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 42.3 t-80 -59.76 -48.37 81.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.49 -42.83 91.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.652 -179.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 ptm180 -61.35 -35.75 78.29 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.352 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 33.4 mmtp -70.7 -40.94 72.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 0.0 109.666 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' HIS . 59.2 t -62.84 -50.99 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -65.76 -28.66 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 111.473 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -72.47 -33.15 66.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.72 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.31 -60.75 1.49 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 31.3 mt-10 -91.24 -20.51 21.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 29.7 t70 74.24 -58.29 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.354 0.662 . . . . 0.0 110.422 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -88.01 -122.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.856 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m 54.36 57.63 5.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.471 0.482 . . . . 0.0 111.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . . . -51.49 -42.1 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.083 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.783 ' HG ' ' H ' ' A' ' 41' ' ' LYS . 13.9 tp 70.11 -164.74 0.16 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 123.656 0.597 . . . . 0.0 110.386 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.783 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 28.9 mtpp -118.7 151.25 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 42' ' ' ARG . 18.0 mtm180 -61.1 -44.88 96.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -62.33 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.47 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.9 -37.81 72.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.012 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.55 -48.54 81.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.777 0.322 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.93 -30.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 0.0 110.083 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 43' ' ' SER . 56.3 t30 -52.91 -58.32 7.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.858 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 42.5 p-90 -68.89 -33.12 73.25 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 16.8 t80 -55.19 -45.7 75.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.403 0.621 . . . . 0.0 110.023 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.794 HD13 ' HE3' ' A' ' 67' ' ' LYS . 10.0 mt -73.43 -50.68 20.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.546 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -54.56 -25.15 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 37.2 mm-40 -81.04 -41.28 22.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 49' ' ' TYR . 42.7 pt -102.21 -3.34 9.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.783 ' HA ' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -74.74 -26.52 59.85 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.465 -178.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -20.48 65.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.35 3.87 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.584 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.783 HG12 ' HA ' ' A' ' 54' ' ' GLU . 21.4 mm -67.89 112.21 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.817 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.17 -18.68 26.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 7.7 t -137.59 129.17 28.33 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.35 -36.55 43.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.942 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.01 -34.59 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.69 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 9.5 mm-40 -67.72 -42.5 81.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.18 0.514 . . . . 0.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.685 HD13 HG13 ' A' ' 57' ' ' ILE . 17.5 tp -67.22 -37.24 83.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.376 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.751 HG12 HD11 ' B' ' 390' ' ' LEU . 39.4 mt -69.72 -38.1 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.368 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.7 t30 -60.52 -50.57 73.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.37 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.541 ' O ' HG22 ' A' ' 70' ' ' ILE . 56.5 mmtt -54.87 -46.25 74.71 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.794 ' HE3' HD13 ' A' ' 50' ' ' LEU . 14.0 mttp -63.12 -42.12 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 40.8 ttp-105 -62.35 -29.53 70.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.582 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 65' ' ' ASN . 43.2 mm -86.55 -51.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 66' ' ' LYS . 8.9 tp -63.51 -41.32 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.743 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.1 -34.17 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 22.0 ttmm -63.52 -51.63 64.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.62 -35.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.36 -37.97 78.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.427 . . . . 0.0 109.955 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -70.33 -32.88 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.34 0.59 . . . . 0.0 109.776 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.823 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 9.3 ttt180 -74.63 -43.01 57.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.028 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 17.4 tp -56.91 -39.2 73.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.048 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.458 ' HA ' HD22 ' A' ' 84' ' ' LEU . 6.7 p -78.99 -25.63 43.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.41 -70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.823 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.1 m-85 -56.97 -47.0 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 5.1 m-20 -81.08 -61.14 2.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 63.37 33.94 13.44 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.636 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.75 3.56 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.55 . . . . 0.0 110.556 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.8 pt? -91.39 151.55 20.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.42 0.629 . . . . 0.0 111.707 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.79 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.7 mp -100.35 146.89 8.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 108' ' ' LEU . 1.4 pt-20 . . . . . 0 C--N 1.325 -0.483 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.546 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.491 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 55.6 m-85 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.658 0.266 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 86' ' ' GLU . 2.1 mm? -98.65 123.29 42.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.844 -178.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.79 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -128.61 138.82 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.713 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.44 148.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.727 0.298 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -83.53 142.32 42.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.521 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.55 -0.49 5.23 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.878 2.386 . . . . 0.0 111.849 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.42 -4.55 57.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.832 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 121.87 11.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.715 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.13 -179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 64' ' ' ILE . 11.1 tp . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.591 0.234 . . . . 0.0 110.63 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -61.94 -26.78 68.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.093 178.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' B' ' 396' ' ' LYS . 1.7 mp -62.4 -30.7 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.556 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.84 -24.53 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.184 0.516 . . . . 0.0 110.342 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -98.04 -16.51 19.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.451 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.015 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 . . . . . 0 N--CA 1.463 0.216 0 CA-C-O 120.724 0.297 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -49.15 78.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.62 -42.3 78.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.038 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -59.4 -42.4 91.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.037 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t -60.57 -43.69 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -61.51 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 HD12 ' A' ' 70' ' ' ILE . 1.7 mp -65.41 -46.76 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.053 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.7 t -58.14 -37.45 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.025 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -61.32 -42.6 98.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.587 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -59.77 -38.73 82.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.475 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' HE2' ' A' ' 114' ' ' TYR . 7.3 mm -66.98 -52.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.477 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.38 -36.11 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.748 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 8.2 mt -67.47 -51.84 46.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.641 0.258 . . . . 0.0 111.444 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -68.36 -39.4 81.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.056 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.28 -45.98 82.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.914 -179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 14.3 ptm180 -63.1 -30.47 71.62 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 110.243 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 17.3 tppt? -73.08 -42.18 63.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 40' ' ' LEU . 14.4 t -59.97 -48.97 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.872 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 10.4 pt-20 -66.7 -28.14 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.749 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -73.67 -34.16 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.462 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 16.5 mt-10 -87.21 -55.63 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.549 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.43 -80.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 176.51 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.535 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -109.8 -52.1 2.81 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m 67.76 -43.02 0.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.316 -1.311 . . . . 0.0 113.198 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 61.67 86.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.501 0.667 . . . . 0.0 110.354 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.87 167.82 11.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.492 -178.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -82.01 130.52 35.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.914 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -36.14 78.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.468 0.175 . . . . 0.0 111.334 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -33.69 75.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.668 0.271 . . . . 0.0 110.489 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' HE1' ' A' ' 48' ' ' TRP . 88.4 mt -57.16 -50.92 71.33 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.068 0.461 . . . . 0.0 109.897 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 39.8 t -64.19 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.197 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -56.71 -60.31 3.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.157 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 36.3 p-90 -66.62 -28.89 68.85 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.045 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.9 t80 -59.39 -50.04 75.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 14.7 mt -67.56 -38.82 84.68 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.653 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 3.1 mptp? -59.7 -25.59 64.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.783 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -83.19 -41.21 18.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.956 0.408 . . . . 0.0 111.524 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' ILE . 8.0 pt -89.57 -16.6 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.653 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 10.5 pt-20 -61.21 -21.68 64.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -26.08 61.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.895 0.379 . . . . 0.0 110.349 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 -21.48 15.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.2 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.9 mm -74.21 108.37 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -110.21 -10.52 14.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.412 0.625 . . . . 0.0 109.35 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -118.74 134.8 54.88 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.243 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 64' ' ' ILE . 3.1 tt0 -58.64 -37.55 76.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.017 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -52.6 -46.4 66.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.661 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB2' HG23 ' A' ' 57' ' ' ILE . 68.1 mm-40 -60.05 -46.61 88.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.01 0.433 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.74 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.2 tp -66.13 -42.18 89.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 60' ' ' GLU . 83.0 mt -62.8 -42.41 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 109.981 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.4 t30 -57.84 -48.78 78.78 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.024 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.564 ' HE3' HD13 ' A' ' 53' ' ' ILE . 7.7 tppt? -63.59 -49.7 72.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' B' ' 393' ' ' ILE . 13.1 tptp -54.85 -49.17 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.327 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 14.8 ptt180 -65.79 -30.03 70.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 65' ' ' ASN . 38.8 mm -79.52 -51.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.427 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.492 HD12 HG23 ' A' ' 20' ' ' ILE . 7.3 tp -58.18 -42.91 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.59 0.233 . . . . 0.0 110.936 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.43 -44.16 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 37.0 ttpt -59.91 -43.64 94.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 69' ' ' ILE . 79.7 t -60.78 -47.74 91.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.695 0.284 . . . . 0.0 110.255 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.21 -43.68 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.3 -41.9 98.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.703 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.68 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 33.5 ttm180 -62.76 -41.88 99.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.52 0.676 . . . . 0.0 110.205 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -71.9 -24.76 61.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.081 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -93.98 4.47 53.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -139.82 -55.96 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.68 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 42.6 m-85 -71.73 -54.65 9.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.55 -56.88 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 111.86 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 25.2 t-80 67.77 50.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.076 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.767 HG22 HD21 ' A' ' 77' ' ' LEU . 2.7 m -91.63 -2.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -87.78 140.81 29.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.996 178.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.834 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.1 mt -93.32 131.86 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.797 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 36.6 m-85 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.637 HD22 HD21 ' A' ' 84' ' ' LEU . 50.2 mt -103.03 143.13 32.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 111.896 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.834 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -147.91 138.32 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.203 178.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HB ' HD12 ' A' ' 84' ' ' LEU . 4.6 p -119.69 163.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.709 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.525 ' HB2' ' HD2' ' A' ' 112' ' ' PRO . 53.8 p30 -102.47 163.05 18.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.028 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 111' ' ' ASN . 73.5 Cg_endo -79.3 0.87 9.66 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.694 2.263 . . . . 0.0 111.799 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -74.01 -66.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.005 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER 55.9 -159.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.591 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.957 ' HB3' ' HB ' ' B' ' 393' ' ' ILE . 34.9 mt . . . . . 0 N--CA 1.442 -0.844 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 44.98 26.77 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.312 1.007 . . . . 0.0 111.297 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . 0.452 HH12 ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -164.54 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.678 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.957 ' HB ' ' HB3' ' B' ' 390' ' ' LEU . 3.4 mp -65.52 -22.2 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.228 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -63.32 -43.73 96.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.443 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.03 -27.9 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.789 ' HD2' HG23 ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 178.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.413 0.149 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -26.28 67.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.346 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -56.68 -52.22 65.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.034 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -58.26 -44.87 88.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.866 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -38.72 92.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.217 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -64.91 -47.72 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.07 -44.54 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.34 0.59 . . . . 0.0 109.812 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.1 m -60.5 -38.43 84.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.083 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -33.14 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.12 -37.82 84.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.516 178.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.35 -44.78 97.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.812 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.52 -44.2 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 123.337 0.398 . . . . 0.0 111.446 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.85 -46.73 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 70.2 t60 -62.97 -36.72 84.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 112' ' ' PRO . 1.2 tm? -64.2 -41.16 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.95 -41.74 88.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.244 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -70.33 -33.91 72.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' HIS . 45.5 t -64.95 -42.21 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.0 pt-20 -78.7 -29.12 45.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -77.25 -42.38 37.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -94.52 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.59 -20.1 65.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 35.2 t70 68.41 20.16 8.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.772 0.796 . . . . 0.0 110.153 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -116.86 -141.2 0.37 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.46 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 109' ' ' VAL . 1.5 p -179.57 -26.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.029 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -87.06 162.78 17.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.3 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt 69.17 92.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.368 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 22.1 ptmt -165.68 21.12 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.507 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 42' ' ' ARG . 7.1 ttm-85 -73.94 -62.41 1.51 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.75 -36.61 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.765 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 74' ' ' ILE . 15.3 tp -52.15 -57.93 8.13 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG12 HD11 ' A' ' 50' ' ' LEU . 2.0 t -68.07 -37.53 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 110.212 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.56 -58.22 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.245 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 37.6 p-90 -76.18 -29.06 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.321 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' ILE . 24.0 t80 -59.3 -52.79 64.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.894 0.378 . . . . 0.0 110.615 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.543 HD11 HG12 ' A' ' 46' ' ' VAL . 14.9 mt -62.57 -39.13 92.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.054 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.726 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -70.65 -27.09 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.732 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -83.49 -37.16 23.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.813 -179.104 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.662 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 29.8 pt -90.78 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 7.0 pt-20 -60.87 -23.36 65.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.32 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -32.74 72.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.384 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 7.5 pt-20 -88.17 -16.09 34.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.768 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.0 mm -73.67 91.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.058 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -84.27 -14.96 48.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 m -139.03 143.52 38.45 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.374 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.653 ' HG3' HG21 ' B' ' 393' ' ' ILE . 2.6 tt0 -51.77 -44.63 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.526 0.516 . . . . 0.0 110.624 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp0 -53.99 -38.97 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.9 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.9 -43.23 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.237 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.768 ' HB2' HG21 ' A' ' 57' ' ' ILE . 17.5 tp -69.95 -39.69 75.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.822 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.875 ' HA ' HD11 ' B' ' 390' ' ' LEU . 18.7 mm -53.29 -52.96 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.548 0.689 . . . . 0.0 109.175 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.56 -52.04 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.836 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' O ' HG22 ' A' ' 70' ' ' ILE . 25.9 mmtm -57.39 -47.48 81.58 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.156 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' NZ ' HD13 ' A' ' 50' ' ' LEU . 1.1 tppt? -65.64 -38.3 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.59 -46.65 87.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -68.08 -52.74 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.782 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' LYS . 9.3 tp -56.26 -42.27 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.467 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.56 -44.81 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.762 0.315 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -64.95 -39.71 93.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.338 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.47 -44.06 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 45' ' ' LEU . 97.2 mt -63.52 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.479 . . . . 0.0 110.044 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.37 -41.62 98.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.446 0.641 . . . . 0.0 109.686 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 35.3 ttt180 -67.43 -42.9 82.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.998 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 8.5 tt -57.37 -39.32 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.625 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -36.56 30.48 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -98.17 -67.91 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 98.7 m-85 -66.38 -53.4 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 84.2 m-20 -68.83 -48.11 64.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.102 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.35 33.36 22.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.304 0.573 . . . . 0.0 110.05 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HG ' ' A' ' 77' ' ' LEU . 7.0 p -95.81 7.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.038 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 108' ' ' LEU . 13.9 tp -90.47 130.1 36.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.276 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.847 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.2 mt -96.85 139.42 19.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.772 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.736 0.303 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.1 mm? -103.17 126.51 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.845 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.847 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -136.05 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.737 0.304 . . . . 0.0 111.155 -178.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.8 149.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.17 138.02 97.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.681 0.276 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HB3' HD12 ' A' ' 28' ' ' LEU . 47.6 Cg_endo -68.67 -8.46 23.34 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.279 2.652 . . . . 0.0 113.298 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -89.87 -69.06 0.74 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.573 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 28.5 t80 69.99 151.95 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.947 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.589 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 120.946 0.403 . . . . 0.0 111.181 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.875 HD11 ' HA ' ' A' ' 64' ' ' ILE . 9.2 tp . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.46 0.171 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.09 -27.61 69.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 109.509 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -61.68 -31.9 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.869 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 63' ' ' LEU . 1.7 mp -56.17 -36.97 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.614 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' B' ' 394' ' ' ARG . 17.5 mmm180 -56.88 -33.21 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.623 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.83 -11.36 19.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.746 0.784 . . . . 0.0 109.849 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.654 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 5.4 tmtm? . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.327 -179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.75 0.309 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -62.33 -46.5 88.43 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.983 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.56 -36.9 73.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.742 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -62.6 -40.46 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 21.6 t -65.93 -38.26 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.748 178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -65.06 -42.46 94.18 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -66.69 -49.83 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 110.138 179.508 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 24' ' ' ILE . 7.6 m -64.12 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -63.35 -32.51 73.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD22 HD11 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -60.56 -43.44 97.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.891 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 21' ' ' SER . 7.8 tp -64.91 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 29.9 m -77.52 -37.94 25.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.8 mt -68.6 -46.89 68.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.3 t-80 -65.15 -34.84 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 2.0 tm? -62.12 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 68.6 mtp180 -58.97 -38.48 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.587 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.26 -38.78 68.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.354 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 27' ' ' HIS . 55.4 t -65.49 -43.47 94.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.2 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 10.2 pt-20 -66.61 -27.9 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.392 . . . . 0.0 110.454 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -78.78 -42.62 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -88.12 -68.26 0.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.978 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 15.7 mm-40 -65.64 -37.35 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 66.51 18.08 10.75 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.605 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 10.6 pt-20 -123.61 -3.63 8.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m 68.06 -34.95 0.26 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.91 0.884 . . . . 0.0 113.155 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -54.18 134.62 44.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.117 0.484 . . . . 0.0 112.17 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -136.2 176.69 8.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.811 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HB2' ' HB3' ' A' ' 44' ' ' GLU . 42.5 mttp -94.41 130.47 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.628 ' HB2' HD12 ' A' ' 108' ' ' LEU . 57.4 ttt180 -59.47 -61.73 2.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -64.77 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.71 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . 36.2 tt0 -61.55 -36.08 79.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.904 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.724 HD11 HD13 ' A' ' 40' ' ' LEU . 50.1 mt -53.19 -57.49 10.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.922 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.738 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 p -72.67 -30.91 35.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 19.3 t30 -50.31 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.155 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -70.28 -29.06 65.73 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 53' ' ' ILE . 39.4 t80 -56.12 -46.57 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.325 0.583 . . . . 0.0 109.696 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.86 HD13 ' HE3' ' A' ' 67' ' ' LYS . 12.7 mt -69.54 -42.98 73.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 9.9 mmtp -59.24 -29.82 67.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.441 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.57 -44.67 13.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.687 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.701 ' O ' HG12 ' A' ' 57' ' ' ILE . 43.8 pt -81.11 -21.97 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 5.1 pt-20 -59.74 -25.63 65.01 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -76.72 -21.69 54.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.491 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -103.54 -24.0 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.727 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.701 HG12 ' O ' ' A' ' 53' ' ' ILE . 42.6 mm -64.65 118.44 6.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.13 0.49 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -100.28 -25.38 14.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.071 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -104.3 130.02 52.13 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.65 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.43 -34.94 73.11 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.07 -44.18 82.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.169 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.5 mm-40 -62.05 -48.04 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.052 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 57' ' ' ILE . 14.7 tp -61.56 -35.33 77.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.214 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.71 HG12 HD11 ' B' ' 390' ' ' LEU . 95.6 mt -75.5 -45.04 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.856 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.17 -51.65 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.509 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -58.85 -41.34 86.73 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.86 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -64.35 -43.06 95.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.335 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -61.82 -47.55 84.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 20' ' ' ILE . 23.8 mt -63.04 -53.32 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.99 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.973 HD11 HD22 ' A' ' 23' ' ' LEU . 9.9 tp -55.49 -44.32 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.041 -0.263 . . . . 0.0 111.356 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.76 -48.9 70.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 0.0 110.489 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -57.58 -41.17 80.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.981 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.17 -49.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 77' ' ' LEU . 89.1 mt -60.26 -44.36 95.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.447 0.641 . . . . 0.0 110.044 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 6.1 t60 -63.08 -40.41 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 21.3 ttp-105 -75.92 -31.12 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.332 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.788 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -57.46 -36.88 72.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.715 ' HB ' HD13 ' A' ' 84' ' ' LEU . 5.2 t -93.64 -14.42 26.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 111.242 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 2.7 t60 -95.9 -75.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -82.76 -42.18 18.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.788 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.831 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 61.46 32.32 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' A' ' 81' ' ' ASP . 18.1 m -105.87 10.88 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.068 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 108' ' ' LEU . 5.3 tt -98.85 140.27 33.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.656 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.719 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 3.2 mp -115.41 117.07 54.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.318 -0.802 0 CA-C-O 121.002 0.43 . . . . 0.0 110.1 179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.557 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 95.6 m-85 . . . . . 0 N--CA 1.451 -0.397 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 84' ' ' LEU . 45.9 mt -94.7 135.35 36.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.604 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.719 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 8.2 t -123.29 151.2 27.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.63 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.27 143.86 37.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-80 -66.46 145.03 98.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 8.4 Cg_exo -71.58 -3.54 13.27 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.108 2.539 . . . . 0.0 113.253 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -97.9 -84.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER 62.16 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.497 0.665 . . . . 0.0 110.982 -179.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.561 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.868 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.71 HD11 HG12 ' A' ' 64' ' ' ILE . 5.3 tp . . . . . 0 N--CA 1.462 0.162 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.89 -25.2 64.9 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.946 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -72.46 -20.77 61.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.269 0.557 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.6 mp -63.41 -25.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.357 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -59.61 -46.56 88.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.051 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.05 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.21 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.578 179.216 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 120.777 0.322 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -66.11 -35.06 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.12 0.486 . . . . 0.0 110.189 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.03 -49.6 27.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.336 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.44 -39.03 75.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.899 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -62.12 -47.61 83.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 66' ' ' LYS . 1.1 mp -74.43 -50.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.099 0.476 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -61.17 -36.18 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -58.98 -35.97 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -57.95 -44.25 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.513 179.564 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.427 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 mm -60.51 -49.69 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.47 -51.28 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.886 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.07 -41.66 99.48 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 t-80 -73.91 -39.44 63.84 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.465 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.6 tm? -61.76 -45.83 92.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.4 ptm180 -63.52 -29.74 70.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.176 0.512 . . . . 0.0 110.209 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.87 -41.92 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.376 0.607 . . . . 0.0 109.632 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 40' ' ' LEU . 49.5 t -65.88 -44.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.53 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 pt-20 -64.71 -28.65 69.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.977 0.418 . . . . 0.0 110.264 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -70.06 -39.19 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -102.09 -68.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.14 -40.49 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.441 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.23 -6.66 1.49 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.379 0.671 . . . . 0.0 111.944 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.04 -22.04 24.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 0.0 111.349 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' HD21 ' A' ' 28' ' ' LEU . 7.3 m 58.92 20.53 8.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.3 138.88 31.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 31' ' ' VAL . 41.3 mt -144.88 164.04 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.148 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -101.68 139.07 37.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.963 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -54.02 -63.13 1.25 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 1.3 m -64.66 -28.59 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.11 -40.44 64.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 23' ' ' LEU . 3.1 mt -54.49 -52.36 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.157 0.503 . . . . 0.0 110.853 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.717 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -72.52 -33.16 44.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.781 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' SER . 50.5 t30 -50.31 -59.54 3.87 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.33 -29.43 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.51 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 36.2 t80 -53.91 -52.59 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.377 0.608 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.935 HD22 ' HZ2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -68.64 -45.73 71.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 -179.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.43 -27.85 62.77 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -83.65 -45.01 13.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.9 pt -89.02 -11.08 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.0 pt-20 -65.41 -25.05 67.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.53 -24.45 60.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.516 0.198 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -101.83 10.09 40.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.457 0.646 . . . . 0.0 110.082 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.4 mm -82.4 108.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.843 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -21.03 37.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.183 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.98 129.33 31.94 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.582 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 16.9 pm0 -53.08 -39.83 63.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.575 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.582 ' N ' ' HG2' ' A' ' 60' ' ' GLU . 27.5 mt-10 -53.17 -35.24 59.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.146 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.8 mm-40 -63.24 -41.92 99.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.6 tp -74.01 -36.63 64.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.107 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.773 HG23 HD21 ' B' ' 390' ' ' LEU . 9.9 mt -62.92 -49.59 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 t30 -61.07 -50.67 72.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.28 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -55.99 -40.47 73.36 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.935 ' HZ2' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.51 -49.19 72.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.362 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 17.8 tpp180 -62.54 -40.74 97.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.595 HG22 HG21 ' A' ' 20' ' ' ILE . 42.9 mt -65.37 -53.24 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.31 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.702 HD11 HD22 ' A' ' 23' ' ' LEU . 9.6 tp -60.35 -37.1 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.557 0.218 . . . . 0.0 111.204 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.15 -47.49 64.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 109.774 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -60.45 -46.69 89.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.612 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 69' ' ' ILE . 33.9 m -59.14 -36.56 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.523 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.44 -40.98 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -65.31 -39.73 92.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.293 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.643 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 57.0 ttp180 -69.79 -40.95 75.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD13 ' HE1' ' A' ' 114' ' ' TYR . 8.6 tp -63.24 -42.73 99.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.623 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.2 p -84.24 4.06 32.54 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -134.47 -60.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.144 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.643 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.4 m-85 -75.28 -54.72 6.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.712 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 12.8 m-20 -63.08 -50.29 71.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 m170 65.69 17.78 10.99 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.795 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.75 19.36 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.259 1.028 . . . . 0.0 109.536 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -94.27 124.98 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.28 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.006 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.1 mt -87.51 133.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.522 . . . . 0.0 111.049 -179.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 . . . . . 0 C--O 1.234 0.245 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.621 ' HB3' HD11 ' A' ' 84' ' ' LEU . 60.2 mt -111.62 130.79 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 1.006 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -134.67 138.62 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.052 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.404 ' HA ' HD22 ' A' ' 84' ' ' LEU . 8.1 p -101.71 145.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 61.6 t30 -64.17 130.19 94.43 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 31.7 Cg_exo -59.49 -11.55 14.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.123 2.549 . . . . 0.0 112.863 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -83.9 -65.7 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.724 ' HE1' HD13 ' A' ' 77' ' ' LEU . 6.2 t80 65.59 172.75 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.6 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.773 HD21 HG23 ' A' ' 64' ' ' ILE . 28.8 tp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.857 0.361 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.804 ' HG2' ' HE ' ' B' ' 394' ' ' ARG . 3.4 tt0 -70.75 -10.98 60.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.617 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -28.51 34.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.524 0.678 . . . . 0.0 109.903 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.648 HG21 ' CG1' ' A' ' 64' ' ' ILE . 1.7 mp -58.69 -36.21 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.73 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.804 ' HE ' ' HG2' ' B' ' 391' ' ' GLU . 23.2 ptt85 -59.49 -23.29 62.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 111.321 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -100.97 -17.22 16.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.555 0.693 . . . . 0.0 109.713 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.462 ' HD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.993 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 5.1 t80 . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -48.41 73.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.134 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.6 65.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.4 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 53.0 m-85 -59.67 -45.18 92.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 40.5 m -61.23 -47.92 83.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -63.36 -36.24 83.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.045 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 1.4 mp -77.83 -51.83 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -60.08 -31.85 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' SER . 65.3 t30 -62.33 -35.05 77.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -59.14 -41.23 87.77 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 24' ' ' ILE . 3.5 mm -62.73 -47.56 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.46 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.574 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 83.4 mt -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.712 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.619 ' HE1' HD23 ' A' ' 40' ' ' LEU . 49.1 t-80 -63.13 -45.8 90.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.602 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -63.08 -49.69 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.5 0.19 . . . . 0.0 111.038 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -61.43 -31.36 71.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.138 -179.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -73.19 -54.77 7.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.02 -36.15 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 pt-20 -70.12 -29.03 65.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.67 -35.05 30.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.69 -62.98 1.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -106.03 -78.79 0.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.184 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 21.0 t70 -178.96 -54.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.384 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.11 -42.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m 71.12 -48.29 0.67 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.9 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 54.92 89.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.345 0.658 . . . . 0.0 112.147 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD23 ' HE1' ' A' ' 27' ' ' HIS . 2.2 mm? -100.63 -151.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' H ' ' HB3' ' A' ' 40' ' ' LEU . 16.6 mttm -125.81 163.33 23.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.9 ptm180 -60.23 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.021 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -30.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.13 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.32 -37.83 71.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -62.44 -42.05 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 178.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.695 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 19.9 t -73.22 -34.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.135 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -50.13 -59.53 3.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.139 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.721 ' HE1' HD13 ' A' ' 45' ' ' LEU . 48.5 p-90 -68.74 -29.43 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.029 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 19.2 t80 -60.29 -51.55 69.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.196 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -63.02 -37.06 85.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.962 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -29.11 69.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.097 0.475 . . . . 0.0 110.93 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 32.2 mm-40 -84.54 -36.04 22.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.458 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 57' ' ' ILE . 20.3 pt -87.9 -13.48 10.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 10.1 pt-20 -60.09 -24.07 64.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.855 0.359 . . . . 0.0 111.364 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -24.59 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.28 -17.75 20.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.161 0.505 . . . . 0.0 110.044 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 63' ' ' LEU . 23.9 mm -86.05 98.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.767 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.9 -12.28 25.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.13 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.07 128.88 48.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.739 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.67 -35.71 66.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -54.49 -36.58 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.521 0.2 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.599 ' HB3' HD12 ' A' ' 57' ' ' ILE . 44.8 mm-40 -66.55 -46.77 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.184 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.987 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.0 tp -65.92 -49.66 67.22 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.705 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.776 HG12 HD21 ' B' ' 390' ' ' LEU . 22.0 mt -55.58 -36.29 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.129 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.5 t30 -71.29 -46.75 60.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.101 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -58.08 -44.19 87.45 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.588 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.787 ' HD2' HD12 ' B' ' 390' ' ' LEU . 65.6 mttt -65.72 -34.51 78.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.186 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -66.93 -42.98 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.893 178.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 65' ' ' ASN . 37.3 mm -70.38 -48.16 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 46' ' ' VAL . 11.0 tp -58.04 -39.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.273 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.59 -36.21 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.405 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -58.93 -50.56 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.33 -40.81 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.034 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.29 -41.67 91.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.92 -43.83 94.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.17 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.677 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 12.2 ttm180 -68.13 -38.76 82.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.81 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' HG ' HG12 ' A' ' 83' ' ' VAL . 6.7 tt -60.94 -44.44 97.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.078 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.927 ' HA ' HD22 ' A' ' 84' ' ' LEU . 17.4 p -85.26 3.99 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -132.96 -68.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.21 -0.596 . . . . 0.0 112.144 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.677 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.0 m-85 -72.85 -66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.31 -44.4 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.49 33.52 16.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.404 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 111' ' ' ASN . 7.1 p -90.45 13.86 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 122.2 1.0 . . . . 0.0 109.795 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.927 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.4 pt? -91.24 147.0 23.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.751 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.925 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.7 mt -118.36 129.36 74.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.492 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.075 179.246 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.522 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 39.2 m-85 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.687 0.28 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 84' ' ' LEU . 16.2 tp -116.56 129.04 55.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.059 0.457 . . . . 0.0 110.186 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.925 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -143.14 143.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.14 139.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.877 0.37 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 83' ' ' VAL . 26.0 t30 -67.38 125.64 91.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.861 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.55 -18.3 14.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.066 2.511 . . . . 0.0 112.307 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.43 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 16.2 m120 -89.42 48.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.392 0.615 . . . . 0.0 109.378 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -73.15 150.86 41.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.372 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.787 HD12 ' HD2' ' A' ' 67' ' ' LYS . 1.4 tp . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.512 0.196 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 13.3 tt0 -58.08 -37.6 74.79 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.006 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -62.4 -23.08 66.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.326 0.584 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.753 HD12 ' HG ' ' B' ' 390' ' ' LEU . 11.6 mt -71.27 -25.84 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.607 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.807 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 4.2 ptp180 -63.29 -24.77 68.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.585 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.76 17.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.18 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 41.3 tttm . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.337 179.209 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.682 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 33.4 p90 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 11.0 m -64.55 -44.28 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -61.88 -48.5 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.682 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 18.8 m-85 -57.05 -42.23 80.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.125 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 m -62.64 -43.16 99.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 15' ' ' SER . 38.9 mmt180 -63.29 -36.79 84.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.861 0.362 . . . . 0.0 111.265 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 HD12 ' A' ' 70' ' ' ILE . 1.6 mp -77.41 -47.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.68 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -36.43 75.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.36 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.46 -33.58 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.601 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 24' ' ' ILE . 5.0 mm -60.37 -52.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.14 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.543 ' HB ' ' NH2' ' A' ' 29' ' ' ARG . 12.4 m -69.09 -43.25 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.278 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.84 -47.22 83.28 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.037 0.446 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -70.59 -44.6 66.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.895 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.03 -50.69 72.56 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH2' ' HB ' ' A' ' 25' ' ' VAL . 7.6 ptp180 -61.38 -35.03 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -40.08 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.301 0.572 . . . . 0.0 110.369 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.98 -51.46 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.388 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.46 -27.8 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.77 -43.03 76.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.321 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.89 -66.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.24 -37.02 85.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t0 64.3 30.59 13.35 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.692 0.758 . . . . 0.0 110.027 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -154.05 106.09 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.749 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.823 ' HB3' HG23 ' A' ' 109' ' ' VAL . 7.5 t -69.11 -10.6 58.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.373 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -72.25 88.61 1.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -138.6 161.55 36.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.286 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 43.1 mttm -69.36 131.88 45.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 110.495 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -77.15 -19.25 57.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.777 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 m -60.54 -42.45 96.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 12.6 pt-20 -71.69 -29.51 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 48' ' ' TRP . 58.0 tp -54.62 -48.63 71.99 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 121.067 0.461 . . . . 0.0 110.037 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 34.3 t -72.51 -33.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' A' ' 51' ' ' LYS . 32.4 t30 -55.61 -58.83 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.687 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.655 ' HE1' HD12 ' A' ' 45' ' ' LEU . 44.0 p-90 -66.34 -29.58 69.8 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.873 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -59.52 -50.24 74.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.168 0.509 . . . . 0.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 11.7 mt -68.85 -35.84 77.42 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.911 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -67.7 -23.05 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 74.3 mm-40 -83.52 -36.24 24.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.6 pt -99.46 -6.57 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 8.4 pt-20 -54.11 -29.66 45.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -23.5 43.22 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -94.92 -30.27 14.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.082 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 63' ' ' LEU . 35.3 mm -72.01 105.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.735 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.65 -15.29 16.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.595 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -113.08 130.49 56.15 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.426 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 64' ' ' ILE . 1.5 tp10 -55.1 -42.22 72.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.175 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' HG12 ' A' ' 64' ' ' ILE . 56.5 mp0 -56.93 -38.35 72.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.023 -0.99 . . . . 0.0 112.315 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.595 ' HG2' ' HB2' ' A' ' 59' ' ' SER . 78.2 mm-40 -61.87 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 57' ' ' ILE . 4.8 tp -66.8 -41.54 87.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.736 HD11 ' HG3' ' A' ' 60' ' ' GLU . 5.0 mm -57.94 -47.02 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 1.3 t30 -60.67 -49.77 76.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.01 -43.11 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 110.432 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.864 ' HD2' HD12 ' B' ' 390' ' ' LEU . 13.1 ttmm -69.35 -43.61 73.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.867 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 6.0 ptp180 -60.62 -25.2 66.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.483 0.182 . . . . 0.0 111.265 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 65' ' ' ASN . 32.5 mm -87.86 -53.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.509 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.3 tp -56.43 -44.07 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.174 0.296 . . . . 0.0 111.205 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -61.93 -56.85 14.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.624 0.726 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.34 -44.51 75.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.98 -48.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.518 0.199 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.75 -41.7 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 109.939 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.34 -42.74 99.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.901 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -68.4 -46.39 70.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -58.98 -39.2 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.997 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.461 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.8 p -83.76 -15.92 46.71 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -116.44 -75.4 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.613 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 92.5 m-85 -59.29 -54.35 47.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 39.7 m-20 -66.72 -40.41 88.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.653 0.263 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 60.23 20.86 10.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.19 7.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 122.245 1.021 . . . . 0.0 109.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -101.67 126.11 48.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.704 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.4 mt -93.56 141.91 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 1.6 mt-10 . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.397 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.786 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 32.5 m-85 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.644 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.5 mm? -82.28 122.77 28.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.968 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.18 138.47 54.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.58 142.54 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.438 ' OD1' HD11 ' A' ' 85' ' ' ILE . 11.3 m120 -102.04 147.62 34.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.284 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.62 -6.45 18.57 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.669 2.246 . . . . 0.0 112.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.83 -63.22 1.22 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.421 ' HD1' HD22 ' A' ' 115' ' ' LEU . 0.2 OUTLIER 53.83 -154.41 0.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.412 -179.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.421 HD22 ' HD1' ' A' ' 114' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.932 0.396 . . . . 0.0 110.978 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 390' ' ' LEU . . . . . 0.864 HD12 ' HD2' ' A' ' 67' ' ' LYS . 3.0 tp . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 391' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 7.2 pt-20 -65.4 -17.28 64.42 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.387 0.613 . . . . 0.0 109.644 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -78.63 -21.42 48.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.532 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 393' ' ' ILE . . . . . 0.705 ' O ' ' HG3' ' B' ' 396' ' ' LYS . 26.2 mm -70.75 -28.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.768 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 26.8 ptt180 -69.07 -25.61 64.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 109.792 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 396' ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.447 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.592 0.234 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 22.6 Cg_exo -65.49 -28.75 53.61 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.881 2.387 . . . . 0.0 112.528 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 7' ' ' LYS . 16.8 tptm -71.16 -20.64 62.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.206 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.74 -28.64 68.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.95 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.7 m 63.4 -177.96 0.15 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.746 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 14' ' ' PHE . 70.8 mt 62.85 54.47 2.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.801 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -138.74 -46.13 0.49 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.625 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 tp -143.35 -30.25 0.51 Allowed 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.64 -46.87 58.87 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.415 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CD2' HD23 ' A' ' 10' ' ' LEU . 10.4 m-85 -96.46 75.52 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.9 m -62.13 -44.98 95.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.737 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.07 -41.79 99.51 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.949 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.67 -45.46 86.58 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.473 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 m -66.38 -40.64 89.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 0.0 110.865 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 9.9 tpt180 -63.62 -38.16 90.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.599 HG21 HG21 ' A' ' 73' ' ' VAL . 1.5 mp -78.54 -49.92 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -57.27 -37.11 71.88 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.502 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -59.87 -35.98 75.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD23 HG12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.57 -36.52 78.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.95 0.405 . . . . 0.0 110.731 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 24' ' ' ILE . 1.6 mm -70.39 -52.34 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.291 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.73 -43.66 86.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.9 mt -66.31 -49.33 67.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -68.93 -30.97 69.53 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.337 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD22 HG13 ' A' ' 110' ' ' VAL . 29.9 tp -74.4 -47.48 33.68 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.849 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.641 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 13.9 ptm180 -62.0 -29.67 70.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.742 0.306 . . . . 0.0 110.533 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -70.73 -45.39 64.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.55 -34.62 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.641 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.4 pt-20 -68.79 -29.39 67.74 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -71.46 -31.35 67.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.658 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -83.89 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.162 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' HB2' ' H ' ' A' ' 36' ' ' ASP . 16.0 mm-40 -107.37 -83.27 0.54 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.418 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' H ' ' HB2' ' A' ' 35' ' ' GLU . 34.8 t70 -177.81 -54.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.419 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -164.04 99.6 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.439 0.637 . . . . 0.0 110.14 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 -49.01 78.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.637 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.37 -179.57 0.13 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.645 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 40' ' ' LEU . 3.9 mm? 54.73 71.82 0.51 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.644 179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -154.97 59.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.899 0.381 . . . . 0.0 111.652 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -62.2 1.65 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.125 0.488 . . . . 0.0 109.975 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.63 -32.84 41.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.589 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.09 -43.3 86.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.194 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.559 HD12 ' HE1' ' A' ' 48' ' ' TRP . 20.9 tp -57.17 -45.27 83.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.685 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.803 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.2 t -72.53 -42.89 63.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.038 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -50.87 -58.8 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.69 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' HE1' HD12 ' A' ' 45' ' ' LEU . 24.4 p-90 -66.41 -30.21 70.53 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.886 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 19' ' ' ARG . 19.3 t80 -61.67 -51.02 70.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.22 0.533 . . . . 0.0 110.119 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 12.0 mt -62.69 -41.51 99.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.835 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -67.07 -23.99 65.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.317 . . . . 0.0 111.844 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -84.39 -37.45 21.48 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.912 0.387 . . . . 0.0 111.824 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.678 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 38.6 pt -95.46 -10.16 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 9.9 pt-20 -59.24 -23.83 62.66 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 m -76.61 -28.1 55.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.745 0.307 . . . . 0.0 110.664 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 5.0 pt-20 -93.73 -21.19 19.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.311 0.577 . . . . 0.0 109.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.819 HD12 ' HB3' ' A' ' 62' ' ' GLU . 30.5 mm -81.05 91.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.269 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.458 ' OD1' ' HG2' ' B' ' 405' ' ' MET . 71.8 m-20 -94.12 -7.23 43.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 p -118.34 133.56 55.79 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.866 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' HG2' HD11 ' A' ' 64' ' ' ILE . 57.5 tt0 -56.17 -37.98 70.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.066 0.46 . . . . 0.0 109.859 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.24 -48.53 68.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.186 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.819 ' HB3' HD12 ' A' ' 57' ' ' ILE . 15.8 mm-40 -55.9 -50.92 69.36 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.892 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 8.8 tp -59.16 -48.32 82.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.231 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' A' ' 60' ' ' GLU . 45.5 mt -58.76 -39.56 77.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.2 t30 -69.04 -48.43 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.778 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -59.78 -42.08 92.55 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.934 ' HD2' HD12 ' B' ' 390' ' ' LEU . 88.3 mttt -68.23 -35.35 77.81 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.841 0.353 . . . . 0.0 110.408 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' HA ' HG11 ' B' ' 385' ' ' VAL . 40.3 ttt180 -64.87 -46.92 79.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.0 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 65' ' ' ASN . 45.5 mm -66.9 -48.33 79.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.158 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.577 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.9 tp -58.99 -41.69 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.114 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.52 -45.9 71.01 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.137 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -61.45 -39.19 89.93 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.061 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.599 HG21 HG21 ' A' ' 20' ' ' ILE . 38.7 t -65.41 -46.85 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.589 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.93 -42.99 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.998 0.428 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -63.24 -40.32 97.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.237 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.658 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 42.7 ttp180 -70.66 -42.48 70.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.815 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.6 tt -56.08 -40.13 73.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.28 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.659 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 4.2 p -87.1 3.35 46.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.724 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -141.6 -82.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.658 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.0 m-85 -55.71 -52.08 65.1 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.61 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 47.4 m-20 -69.31 -39.51 78.23 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 56.85 39.56 29.47 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.886 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.549 HG23 ' HG ' ' A' ' 77' ' ' LEU . 6.7 m -103.47 11.57 8.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.518 0.675 . . . . 0.0 109.893 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.659 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -90.95 155.43 18.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.921 179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.861 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.2 mt -128.09 136.13 61.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.54 144.84 50.69 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 87' ' ' LEU . 14.1 mt -69.6 -72.67 0.18 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.297 0.57 . . . . 0.0 111.499 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.599 ' O ' HD21 ' A' ' 92' ' ' LEU . 7.3 p -79.73 -170.62 2.47 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.853 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.489 ' HA ' HD11 ' A' ' 92' ' ' LEU . 23.9 tt0 -142.59 -43.29 0.32 Allowed 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.162 0.506 . . . . 0.0 110.189 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.14 -17.36 64.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.513 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.57 5.03 54.31 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.352 -0.927 . . . . 0.0 113.272 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.599 HD21 ' O ' ' A' ' 88' ' ' THR . 0.5 OUTLIER -134.18 -7.89 2.64 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.578 -179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -101.6 111.92 24.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.693 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -79.82 173.07 55.05 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.576 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 m 65.28 -169.03 0.2 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 122.513 0.325 . . . . 0.0 110.642 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 m 62.98 -85.65 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.885 0.474 . . . . 0.0 111.406 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -85.9 -20.67 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.106 0.479 . . . . 0.0 109.993 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.9 48.33 5.23 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.765 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.5 146.47 48.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.582 0.229 . . . . 0.0 111.25 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.539 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 10.9 mp0 -63.65 -76.52 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.666 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m 48.9 48.01 20.92 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.594 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.539 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 48.7 p90 -93.81 -25.12 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.843 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.13 -71.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.36 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -173.25 176.45 2.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.771 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.9 133.68 81.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.649 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.487 ' HG2' HD23 ' A' ' 92' ' ' LEU . 11.5 Cg_endo -53.32 -76.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.69 2.927 . . . . 0.0 113.811 -178.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.95 133.05 49.2 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.38 119.18 17.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.861 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -140.69 153.65 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.601 HG13 HD22 ' A' ' 28' ' ' LEU . 3.4 p -115.82 144.83 22.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.516 0.198 . . . . 0.0 111.358 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.8 t30 -78.75 131.01 68.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.899 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 17.3 Cg_exo -67.58 -5.27 13.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.984 2.456 . . . . 0.0 112.964 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -72.82 -67.85 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.321 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.468 ' CD1' HG21 ' A' ' 83' ' ' VAL . 1.6 t80 59.87 -164.46 0.22 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.511 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -137.84 27.57 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.131 -0.355 . . . . 0.0 111.75 -179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.535 ' H ' HD23 ' A' ' 116' ' ' LEU . 1.9 pt? -89.65 166.77 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.322 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.94 -80.01 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.369 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.982 179.916 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 121.028 0.442 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -134.52 144.3 47.93 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.33 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.79 133.22 37.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.322 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt 59.45 77.78 0.3 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.015 0.822 . . . . 0.0 110.987 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -63.65 111.18 3.92 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.768 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 68' ' ' ARG . 5.2 p -70.45 126.13 30.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.754 0.311 . . . . 0.0 110.78 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 35.3 m 55.99 77.79 0.22 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.332 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' B' ' 391' ' ' GLU . 2.5 tt0 -55.75 -30.06 60.6 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.461 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -62.53 -45.97 90.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.083 0.468 . . . . 0.0 111.079 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -81.4 -29.45 33.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.934 HD12 ' HD2' ' A' ' 67' ' ' LYS . 6.1 tp -82.09 -21.92 36.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 15.7 tt0 -57.58 -29.94 64.86 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-O 121.07 0.462 . . . . 0.0 110.612 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -22.36 62.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.487 0.661 . . . . 0.0 110.556 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 63' ' ' LEU . 9.2 mt -72.34 -31.65 39.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.05 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 22.2 ptt85 -59.64 -32.27 70.29 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.132 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -85.06 -30.11 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.571 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.1 OUTLIER -65.02 -40.41 94.82 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.234 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.4 -37.01 81.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.879 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.96 -34.38 68.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.53 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -60.22 -53.62 55.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.853 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 57.0 mmtt -74.61 -2.02 24.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.131 -179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -89.95 -49.57 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.24 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 3.0 pp -77.4 -34.03 54.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -97.9 120.34 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.124 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -73.2 108.81 6.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.243 0.544 . . . . 0.0 110.467 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . 0.458 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt -92.26 -4.08 54.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.539 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.51 124.13 17.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.288 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -60.27 121.2 11.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 86.4 t90 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.318 -0.848 . . . . 0.0 110.014 179.745 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.61 -22.05 51.38 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.621 2.214 . . . . 0.0 112.666 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -71.68 115.77 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.516 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.5 -38.12 22.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m 69.07 137.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.043 0.537 . . . . 0.0 111.687 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 mp -67.81 131.52 45.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.411 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -105.72 -173.18 2.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.19 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.79 -22.6 66.99 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.635 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.31 -34.1 62.62 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.103 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 36.8 m-85 -85.58 61.3 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 m -54.73 -48.66 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.047 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.89 -43.16 89.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 110.568 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.796 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 31.7 m-85 -61.21 -41.06 96.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.713 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -66.13 -39.19 89.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.222 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -61.5 -43.19 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.79 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -72.88 -48.1 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.989 0.423 . . . . 0.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -57.54 -43.31 84.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.697 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.39 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -58.04 -41.3 82.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.079 0.466 . . . . 0.0 110.355 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.431 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.3 mm -65.76 -47.82 84.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.88 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 t -64.64 -49.71 79.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.757 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.53 -49.1 78.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.628 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HE1' ' HA ' ' A' ' 40' ' ' LEU . 57.8 t-80 -57.78 -46.83 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.74 -38.68 89.79 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.679 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.19 -45.81 91.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.833 0.349 . . . . 0.0 110.661 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -67.21 -41.91 84.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.34 0.59 . . . . 0.0 110.08 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.48 -51.7 67.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.453 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.904 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 14.3 pt-20 -61.32 -31.69 71.55 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.787 0.327 . . . . 0.0 111.385 -178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.83 -38.63 61.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.847 0.356 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -85.77 -63.54 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -115.76 -0.03 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.904 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER 69.13 -75.42 0.07 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.412 0.685 . . . . 0.0 112.19 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -113.0 84.05 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.196 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 29.69 7.57 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.691 ' HA ' HG22 ' A' ' 109' ' ' VAL . . . 53.8 -149.01 0.43 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.634 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.512 ' HA ' ' HE1' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -155.95 -37.51 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.555 179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.465 ' N ' HD12 ' A' ' 40' ' ' LEU . 5.2 mttp 65.73 103.24 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.66 0.6 . . . . 0.0 110.617 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.613 ' HB3' HG21 ' A' ' 74' ' ' ILE . 1.7 ptm180 -53.49 -52.61 59.02 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.7 OUTLIER -58.46 -37.85 76.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.624 0.25 . . . . 0.0 111.546 -178.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.21 -43.56 51.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.614 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.452 HD23 ' HE1' ' A' ' 48' ' ' TRP . 3.6 mt -53.74 -51.79 62.21 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.466 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.862 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 31.7 t -66.0 -40.8 88.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.745 179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.515 ' HB2' ' O ' ' A' ' 43' ' ' SER . 62.2 t30 -52.01 -60.7 2.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.861 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.452 ' HE1' HD23 ' A' ' 45' ' ' LEU . 53.7 p-90 -68.12 -28.85 67.68 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.094 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.449 ' O ' HG12 ' A' ' 53' ' ' ILE . 33.7 t80 -60.81 -46.39 90.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.169 0.509 . . . . 0.0 109.897 178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.862 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 18.1 mt -62.24 -41.3 98.3 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.352 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -62.7 -23.77 67.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.892 0.377 . . . . 0.0 111.319 179.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.44 -25.59 28.86 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' ILE . 31.5 pt -112.78 -4.21 11.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 11.5 pt-20 -61.6 -21.97 64.81 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 m -90.1 -19.64 24.08 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.983 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.3 pt-20 -86.28 -29.5 23.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.906 HG23 ' HB2' ' A' ' 62' ' ' GLU . 37.4 mm -76.93 124.83 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.831 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -113.68 -23.64 9.61 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.48 0.657 . . . . 0.0 109.773 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.556 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 3.2 m -111.06 158.19 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.156 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -38.21 78.52 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.001 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -57.21 -45.72 83.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.793 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.906 ' HB2' HG23 ' A' ' 57' ' ' ILE . 15.8 mt-10 -59.98 -43.21 95.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.811 0.338 . . . . 0.0 110.74 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.707 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 9.7 tp -65.16 -48.29 74.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.682 ' HA ' HD11 ' B' ' 390' ' ' LEU . 96.8 mt -60.54 -40.6 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.54 -47.88 84.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.737 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -62.68 -47.48 83.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.401 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.707 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 58.1 mttt -67.88 -34.72 77.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.91 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 41.8 ttp180 -63.51 -44.3 94.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.359 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.4 mt -73.31 -49.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.789 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.685 HG21 HG13 ' A' ' 46' ' ' VAL . 10.0 tp -56.16 -44.33 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -72.91 -37.22 67.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.892 0.377 . . . . 0.0 110.248 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 31.0 ttpt -65.01 -37.62 88.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.7 t -62.98 -44.44 99.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.613 HG21 ' HB3' ' A' ' 42' ' ' ARG . 55.7 mt -65.12 -39.87 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.462 0.649 . . . . 0.0 109.421 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -63.79 -36.65 84.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.522 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.757 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 44.3 ttp180 -71.53 -44.51 64.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.484 179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.887 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 16.1 tp -56.95 -40.85 77.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.898 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.838 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.3 p -83.24 -2.1 54.76 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -178.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -132.1 -76.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.939 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.757 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 48.4 m-85 -61.66 -50.22 73.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.569 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.887 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 22.7 m-20 -65.34 -51.86 57.72 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 59.68 29.72 19.3 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.249 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 81' ' ' ASP . 8.1 p -111.88 30.47 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-O 122.586 1.184 . . . . 0.0 109.736 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.838 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.0 OUTLIER -90.44 160.47 16.02 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.546 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.785 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 10.2 mt -123.04 127.86 74.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.223 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.5 152.17 38.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.667 0.27 . . . . 0.0 110.743 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 106' ' ' PRO . 95.9 mt -80.24 -85.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.612 ' H ' ' HG3' ' A' ' 106' ' ' PRO . 19.2 p -103.69 132.25 50.11 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.44 28.93 1.36 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.934 0.397 . . . . 0.0 111.407 -179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -91.82 88.48 6.67 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.135 0.493 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.3 -54.96 4.93 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.294 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.5 mt 57.71 33.6 23.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.291 0.567 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -122.92 -55.7 1.78 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.348 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 78.95 40.75 16.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.203 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.8 40.32 0.98 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.389 0.614 . . . . 0.0 110.061 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 t -150.32 138.61 20.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.918 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -108.22 7.2 27.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.101 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.79 -54.62 9.44 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.182 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.72 -80.65 0.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.67 -91.3 0.06 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.121 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m 50.01 41.79 23.73 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.272 0.558 . . . . 0.0 110.766 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -88.82 -29.23 19.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.143 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -97.76 -164.51 1.15 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -69.75 132.58 46.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.016 0.436 . . . . 0.0 110.295 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.16 132.51 23.33 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.003 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.612 ' HG3' ' H ' ' A' ' 88' ' ' THR . 92.3 Cg_endo -78.77 179.33 6.59 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.675 2.25 . . . . 0.0 112.404 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.403 ' HB3' ' H ' ' A' ' 108' ' ' LEU . 98.1 m-85 -136.27 -161.64 1.18 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.715 -179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.499 HD22 HD12 ' A' ' 84' ' ' LEU . 74.0 mt -109.13 135.78 49.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.083 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.785 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 4.6 t -125.72 166.23 22.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.289 -0.869 . . . . 0.0 108.932 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 109' ' ' VAL . 11.8 p -126.47 139.83 50.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -67.94 136.21 92.06 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.113 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.84 -19.67 40.2 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.891 2.394 . . . . 0.0 112.339 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -96.82 62.51 1.91 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.498 0.666 . . . . 0.0 109.23 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.438 ' CE1' HD13 ' A' ' 77' ' ' LEU . 56.4 t80 -94.15 119.92 33.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.722 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -95.18 172.09 8.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.406 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 54.4 mt -95.13 177.73 5.77 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.952 0.406 . . . . 0.0 110.691 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.6 -51.45 68.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.139 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.639 -0.696 . . . . 0.0 111.179 -179.398 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.732 0.301 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -85.79 152.01 23.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.251 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 65.2 mt 55.22 43.29 29.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.289 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 42.1 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.37 -179.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -77.58 172.68 55.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.501 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.77 100.79 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.322 0.561 . . . . 0.0 110.102 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 12.8 p 163.51 -41.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.804 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 9.4 tp60 -59.73 -32.76 70.84 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.833 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.67 -51.18 64.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.879 0.371 . . . . 0.0 111.477 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.569 HD13 HG11 ' A' ' 46' ' ' VAL . 3.8 mt -83.57 -11.85 56.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 110.264 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.689 ' HA ' HD13 ' B' ' 393' ' ' ILE . 2.5 tp -85.13 -6.72 59.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.876 0.369 . . . . 0.0 110.488 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' B' ' 387' ' ' GLN . 6.2 mm-40 -64.91 -14.1 58.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.229 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.89 -22.67 33.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.167 0.508 . . . . 0.0 109.671 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.689 HD13 ' HA ' ' B' ' 390' ' ' LEU . 1.7 mp -62.06 -38.67 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.305 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 7.7 ptp180 -60.86 -29.42 69.51 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.22 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.09 -39.02 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -59.35 -35.96 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.493 179.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 7.0 tp10 -51.82 -63.22 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.42 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.17 75.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.604 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -45.24 83.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.316 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -88.32 -22.91 23.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.112 0.482 . . . . 0.0 110.359 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' B' ' 405' ' ' MET . 52.9 tt0 -61.18 -38.16 85.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.741 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 7.0 mp -75.24 -13.7 60.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.032 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -84.58 -72.41 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.496 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -163.22 9.05 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.931 0.396 . . . . 0.0 110.996 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . 0.629 ' HB3' ' HA ' ' B' ' 401' ' ' GLN . 26.5 ttt -68.62 -24.52 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.157 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.2 m 61.22 -87.59 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.796 0.438 . . . . 0.0 111.466 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.561 ' HG3' ' HG2' ' B' ' 405' ' ' MET . 6.6 mmm180 50.26 50.83 17.93 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.833 0.453 . . . . 0.0 111.429 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.31 -0.852 . . . . 0.0 109.855 -179.661 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.2 -28.05 72.97 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.845 2.363 . . . . 0.0 113.102 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 12.4 ttpp -92.79 19.65 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.15 0.5 . . . . 0.0 110.619 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.54 164.13 30.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.191 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -121.24 -70.0 0.81 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.842 0.353 . . . . 0.0 110.432 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' A' ' 118' ' ' ASP . 12.5 tp -136.71 -15.59 1.57 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 52.7 mtm-85 -71.45 97.16 1.59 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 tp -154.95 -54.63 0.09 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.571 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.32 37.96 1.04 Allowed Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.502 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.508 ' HB3' ' CB ' ' A' ' 17' ' ' TYR . 98.0 m-85 -124.97 67.06 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.927 0.394 . . . . 0.0 109.962 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.03 -47.91 84.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.25 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -36.6 71.59 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.67 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.508 ' CB ' ' HB3' ' A' ' 14' ' ' PHE . 1.9 t80 -58.4 -43.6 88.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.426 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -30.02 63.83 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.736 0.303 . . . . 0.0 111.596 -179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -71.5 -38.86 71.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.871 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 73' ' ' VAL . 1.6 mp -77.78 -48.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.489 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 p -53.34 -44.96 68.9 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.602 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.513 ' HA ' HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -64.64 -37.22 86.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.79 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -60.08 -36.82 78.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.496 ' N ' HD13 ' A' ' 23' ' ' LEU . 3.1 mm -70.28 -51.91 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.366 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 22' ' ' ASN . 7.2 p -66.69 -39.98 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.4 mt -67.25 -47.36 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.653 0.263 . . . . 0.0 111.491 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -63.5 -42.46 98.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.712 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 112' ' ' PRO . 1.9 tm? -63.49 -50.35 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.132 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 12.4 ptm180 -62.11 -29.76 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -72.75 -52.68 14.09 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.781 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.06 -33.47 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -72.07 -27.9 62.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.087 -0.383 . . . . 0.0 111.546 -179.578 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.48 -39.13 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.26 -64.09 1.25 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.4 pt-20 -94.69 -8.11 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.9 m-20 61.29 32.99 19.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.235 0.54 . . . . 0.0 110.596 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -125.77 94.02 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.748 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.606 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -83.68 -23.6 31.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.128 -179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' ' 109' ' ' VAL . . . -90.55 125.34 35.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.645 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.84 -164.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -88.36 130.28 35.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -67.48 -30.81 70.61 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.89 -28.83 65.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.992 0.425 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.4 -35.6 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.925 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 70.5 mt -52.17 -53.35 44.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.0 -36.15 50.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.772 179.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -52.74 -59.15 4.84 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 -67.49 -29.82 69.35 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.965 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -57.84 -45.6 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.756 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -71.15 -42.64 68.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.728 -179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.78 -32.14 69.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.744 0.307 . . . . 0.0 111.448 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -69.6 -30.36 68.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.804 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 57' ' ' ILE . 33.5 pt -104.91 -8.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.55 -17.78 48.17 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.25 -28.35 47.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.899 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 13.1 pt-20 -98.3 -18.58 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.983 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 63' ' ' LEU . 34.1 mm -67.67 114.35 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.599 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -110.72 -13.19 14.22 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.6 m -129.73 130.31 45.28 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.697 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -27.86 63.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -51.93 -39.35 59.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.922 0.392 . . . . 0.0 110.52 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.46 -51.98 17.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.107 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -59.54 -47.56 85.05 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.207 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.552 HG23 HD21 ' B' ' 390' ' ' LEU . 83.5 mt -62.88 -36.56 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.391 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' HG12 ' A' ' 69' ' ' ILE . 4.0 t30 -64.41 -55.05 23.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.498 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 70' ' ' ILE . 20.3 mmtp -57.85 -44.89 86.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.993 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.628 ' HD2' ' HB3' ' B' ' 389' ' ' LEU . 2.1 tppt? -62.06 -44.94 95.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.5 ttp85 -62.7 -41.07 98.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.299 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 65' ' ' ASN . 49.1 mm -69.0 -51.26 45.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.461 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 66' ' ' LYS . 7.7 tp -61.58 -41.07 88.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.87 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.75 -43.19 98.27 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -63.83 -41.95 97.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.585 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' ' 20' ' ' ILE . 74.9 t -64.24 -41.02 91.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.256 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.92 -38.9 83.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -64.44 -35.76 81.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.635 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.784 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 45.2 ttm105 -72.35 -47.34 50.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.562 179.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -35.78 70.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.52 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.7 p -83.97 -15.62 47.12 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -124.4 -73.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.784 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 49.5 m-85 -50.98 -65.69 0.51 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.609 0.568 . . . . 0.0 111.534 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -70.15 -45.47 66.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.871 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 55.53 36.02 26.31 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -89.81 14.66 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.335 0.588 . . . . 0.0 110.683 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.1 tp -91.13 122.56 33.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.894 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.742 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.5 mt -90.46 132.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -146.81 141.67 26.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.349 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 106' ' ' PRO . 54.2 mt -67.45 -73.48 0.14 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.241 0.543 . . . . 0.0 110.04 178.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 t -139.71 142.85 36.85 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.526 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.561 ' HA ' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -66.63 -24.45 66.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.62 112.83 3.36 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.095 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.14 -53.1 0.7 Allowed Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.013 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 89' ' ' GLN . 0.7 OUTLIER -82.34 -21.56 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 -179.532 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG2' HD12 ' A' ' 92' ' ' LEU . 58.7 mmtt -87.14 -35.69 18.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.486 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 90.19 56.14 1.86 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.716 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.19 101.67 5.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.915 0.388 . . . . 0.0 110.172 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 m -76.47 135.1 39.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.751 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 64.94 88.79 0.1 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.173 0.511 . . . . 0.0 110.91 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.63 -142.41 5.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.666 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 m -67.27 -36.13 80.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.998 0.428 . . . . 0.0 110.979 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.566 ' HB2' ' HD1' ' A' ' 102' ' ' TYR . 1.6 pt-20 -135.62 -72.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.97 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.81 28.22 12.04 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 123.544 0.528 . . . . 0.0 111.65 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' HD1' ' HB2' ' A' ' 100' ' ' GLU . 42.4 p90 -94.73 -15.38 23.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.784 0.326 . . . . 0.0 111.235 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -87.81 -177.15 5.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.968 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 105' ' ' ASP . 8.0 mm-40 -89.19 -153.8 0.28 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.627 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 104' ' ' GLU . 21.6 t70 -101.22 108.65 55.84 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.094 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.451 ' HB3' HD12 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -92.04 -171.2 0.35 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.083 2.522 . . . . 0.0 112.615 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.454 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 71.8 m-85 -137.05 -169.81 2.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.122 0.487 . . . . 0.0 111.512 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -115.07 122.89 47.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.134 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.742 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -125.35 139.19 51.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.065 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.515 HG13 ' HG ' ' A' ' 28' ' ' LEU . 7.7 p -110.54 155.19 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.41 ' C ' ' H ' ' A' ' 113' ' ' ASN . 3.1 p-10 -62.94 152.49 83.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.674 ' HA ' HD12 ' A' ' 28' ' ' LEU . 50.7 Cg_endo -71.19 11.59 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.86 2.374 . . . . 0.0 112.675 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 111' ' ' ASN . 8.2 p30 -139.83 -156.83 0.71 Allowed 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 8.9 t80 177.16 147.83 0.12 Allowed 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.497 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -119.08 173.17 7.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.5 mt -116.5 154.92 29.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.6 -31.94 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.22 0.533 . . . . 0.0 110.058 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.473 ' HB2' HD13 ' A' ' 10' ' ' LEU . 1.7 m-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.429 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.445 0.164 . . . . 0.0 111.413 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 58.46 39.48 25.05 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.562 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.19 120.28 37.26 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.556 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 10.9 tttp 70.03 -70.54 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.96 0.787 . . . . 0.0 110.938 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.34 57.43 5.11 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.888 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 3.3 p -144.73 106.54 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.982 0.42 . . . . 0.0 111.31 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 16.0 m 71.88 -47.89 0.67 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.688 0.795 . . . . 0.0 112.775 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' B' ' 387' ' ' GLN . 1.5 pt20 -59.34 -18.91 42.28 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.23 -30.43 64.6 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.8 0.333 . . . . 0.0 111.355 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.628 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 3.3 mm? -65.1 -48.18 74.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.484 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.552 HD21 HG23 ' A' ' 64' ' ' ILE . 18.5 tp -83.38 -8.86 59.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.598 -178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.91 -31.79 70.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.236 0.541 . . . . 0.0 110.152 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -60.25 -36.23 77.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.106 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.51 ' HA ' ' HG3' ' B' ' 396' ' ' LYS . 1.4 mp -60.99 -35.58 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.838 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' B' ' 394' ' ' ARG . 1.7 mmm180 -68.96 -29.43 67.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.429 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -36.5 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.64 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.51 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -81.85 -10.51 59.29 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.578 -179.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -56.89 -53.94 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.466 . . . . 0.0 110.669 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -62.92 -32.75 74.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -69.62 -41.32 75.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.62 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -41.46 90.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -74.31 -62.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.429 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.06 -79.05 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.752 0.31 . . . . 0.0 111.303 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -177.77 -46.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.973 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -125.99 163.74 22.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.967 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . 0.409 ' O ' ' HB ' ' B' ' 406' ' ' THR . 57.8 ttm -88.08 -41.35 13.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.379 . . . . 0.0 110.427 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' B' ' 405' ' ' MET . 9.9 t 173.38 -28.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.797 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 407' ' ' ARG . 4.0 ttm180 -160.77 -161.82 0.88 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.357 179.852 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.04 97.02 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.467 2.111 . . . . 0.0 112.171 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -90.22 145.33 25.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.313 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.07 177.69 8.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.052 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -94.06 -80.35 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HG ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 tp -172.79 76.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.35 . . . . 0.0 110.22 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 11' ' ' ARG . 4.7 ptm180 -150.92 6.82 0.52 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.066 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 12' ' ' LEU . 13.4 tp -62.71 -74.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -130.47 54.99 0.78 Allowed Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 68.4 m-85 -124.93 29.39 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.777 0.322 . . . . 0.0 110.989 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 p -61.37 -40.0 92.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -70.86 -40.68 72.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -60.3 -48.59 81.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.594 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 6.1 t -59.95 -34.77 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.647 0.26 . . . . 0.0 110.763 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' OH ' ' A' ' 49' ' ' TYR . 13.5 tpt180 -70.34 -39.1 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -76.93 -49.37 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.645 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 m -58.12 -30.65 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.72 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.546 ' HB2' ' O ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -63.97 -33.39 75.63 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.154 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.18 -37.83 86.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.094 179.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.442 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.9 mm -59.59 -52.2 63.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.329 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.9 m -69.14 -43.51 81.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.75 -50.85 71.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' O ' HG23 ' A' ' 31' ' ' VAL . 43.2 t60 -62.32 -45.19 94.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.823 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.35 -44.43 92.66 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' ' OE2' ' A' ' 32' ' ' GLU . 58.5 mtt180 -55.68 -42.33 75.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.158 0.504 . . . . 0.0 111.09 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -72.08 -43.98 63.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.776 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 38' ' ' SER . 75.1 t -64.92 -46.59 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.182 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.842 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 16.2 pt-20 -61.34 -28.35 69.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 110.663 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -76.16 -38.87 56.13 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.572 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.29 -66.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 6.8 pt-20 -109.83 -13.5 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.842 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 24.0 t70 71.89 -34.4 0.3 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.036 0.534 . . . . 0.0 112.407 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 35' ' ' GLU . 60.3 mt-10 -105.33 89.41 3.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.574 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.541 ' HA ' HG11 ' A' ' 31' ' ' VAL . 56.6 p -57.09 -46.13 82.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.704 ' HB1' ' HD2' ' A' ' 107' ' ' TYR . . . 52.41 -150.08 0.34 Allowed 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.732 ' H ' ' HD2' ' A' ' 107' ' ' TYR . 1.4 tp -56.0 116.65 3.11 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.658 ' HG3' ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -170.03 32.66 0.02 OUTLIER 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.934 178.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -61.12 -50.97 71.07 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 110.726 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.05 -37.93 45.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.76 -40.24 94.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.434 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -49.13 66.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.15 0.5 . . . . 0.0 110.705 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.929 HG11 ' HG ' ' B' ' 389' ' ' LEU . 9.8 t -72.93 -38.94 57.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.292 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.6 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 65.5 t30 -49.59 -58.83 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.8 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 38.9 p-90 -67.74 -29.87 69.2 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.896 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.597 ' CD1' HD13 ' A' ' 23' ' ' LEU . 23.2 t80 -61.2 -46.69 89.42 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.392 0.615 . . . . 0.0 109.778 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.794 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 17.9 mt -69.03 -42.92 75.7 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 47' ' ' ASN . 24.8 mmtp -56.21 -30.46 62.35 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.532 0.52 . . . . 0.0 111.393 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -84.11 -52.89 5.92 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.01 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 57' ' ' ILE . 26.5 pt -70.72 -23.08 23.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 17.0 pt-20 -62.85 -13.31 32.33 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -70.38 -27.17 64.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.815 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -105.42 -9.21 17.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.034 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.836 HG23 ' HB2' ' A' ' 62' ' ' GLU . 44.8 mm -76.89 119.36 25.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.927 0.394 . . . . 0.0 110.422 -179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.544 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 38.4 t70 -116.71 -15.3 10.77 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.354 0.597 . . . . 0.0 110.029 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -117.58 145.75 44.08 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.772 -178.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HG2' ' CD1' ' A' ' 64' ' ' ILE . 33.6 tt0 -62.22 -37.96 87.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -58.9 -37.55 76.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.386 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.836 ' HB2' HG23 ' A' ' 57' ' ' ILE . 24.9 mt-10 -63.24 -46.63 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.452 0.644 . . . . 0.0 109.986 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.774 HD23 HG12 ' B' ' 393' ' ' ILE . 7.4 tp -64.29 -44.44 91.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.088 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 60' ' ' GLU . 96.7 mt -65.27 -44.63 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.726 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -58.7 -51.68 68.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.652 0.263 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 53' ' ' ILE . 33.5 mmtm -58.56 -43.4 89.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.8 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.995 ' HD3' HD12 ' B' ' 390' ' ' LEU . 16.9 mttp -68.78 -32.12 71.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.316 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -75.95 -36.8 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.796 0.332 . . . . 0.0 111.377 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.7 mm -73.14 -43.01 58.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.741 0.305 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.665 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -60.86 -40.98 87.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -70.84 -28.88 64.92 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.194 179.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -67.41 -48.52 67.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.3 t -62.41 -38.98 82.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.944 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.3 mt -62.77 -43.7 98.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.007 0.432 . . . . 0.0 109.935 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -65.35 -36.6 84.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.467 0.651 . . . . 0.0 109.371 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.828 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 10.8 ttm180 -66.06 -40.46 90.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.855 178.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 59.1 tp -62.51 -29.15 70.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.645 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.529 HG23 HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -92.23 4.25 53.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -144.78 -70.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.865 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.828 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 62.2 m-85 -60.72 -55.33 34.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.813 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.617 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 74.8 m-20 -64.83 -45.84 84.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.543 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.2 t60 61.99 19.83 11.07 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.162 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 81' ' ' ASP . 7.4 m -101.51 18.81 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 122.096 -0.377 . . . . 0.0 110.965 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD21 HD12 ' A' ' 108' ' ' LEU . 1.4 tt -92.31 130.09 38.09 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.839 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 12.1 mt -96.05 132.35 40.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.245 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -139.13 128.29 23.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.176 0.512 . . . . 0.0 110.42 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.2 mt -101.66 -148.6 0.37 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.611 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.7 p -105.81 173.1 6.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 101' ' ' SER . 20.8 tt0 -111.41 -20.95 12.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.133 0.492 . . . . 0.0 109.914 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.73 -29.37 21.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.045 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.88 45.2 3.3 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.051 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.494 HD13 ' HE1' ' A' ' 107' ' ' TYR . 33.6 mt -122.28 92.9 3.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.658 0.266 . . . . 0.0 110.718 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.5 tptp 61.05 24.93 15.0 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.838 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 98.14 -170.04 24.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.44 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.0 m -140.83 147.89 39.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.641 0.258 . . . . 0.0 110.633 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.13 -44.04 16.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.637 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -159.1 108.29 1.9 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.96 177.67 25.53 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.719 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 m -116.04 -80.72 0.6 Allowed 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.917 -0.166 . . . . 0.0 110.605 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.61 -102.73 0.12 Allowed 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.639 0.587 . . . . 0.0 111.694 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.452 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 19.7 m 55.61 49.02 17.34 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.198 0.523 . . . . 0.0 111.225 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -105.77 -22.99 12.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.54 -50.01 55.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.961 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -102.58 154.24 19.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.541 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' OD2' HD21 ' A' ' 108' ' ' LEU . 16.4 p-10 -89.66 152.28 46.81 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.192 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -77.28 -152.62 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.355 0 C-N-CA 123.005 2.47 . . . . 0.0 113.702 -178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.732 ' HD2' ' H ' ' A' ' 40' ' ' LEU . 77.1 m-85 -74.81 126.71 31.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.789 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.733 HD12 HD21 ' A' ' 84' ' ' LEU . 1.3 mm? -95.82 119.88 35.09 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.22 0.533 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.839 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 2.1 t -118.04 160.4 17.72 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.084 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.4 HG23 HD11 ' A' ' 77' ' ' LEU . 13.0 p -128.21 148.45 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.372 179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -78.59 146.01 68.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.148 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -63.03 -22.04 73.4 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.78 2.32 . . . . 0.0 112.906 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -103.68 82.2 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.407 0.623 . . . . 0.0 110.522 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -80.6 140.8 35.56 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.191 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -116.01 177.08 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.483 179.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -109.85 -179.9 3.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.292 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -59.74 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.074 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.793 -179.347 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.721 0.296 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.54 61.8 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.763 HD23 HG13 ' B' ' 385' ' ' VAL . 44.4 tp -90.8 141.79 28.44 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -89.93 25.39 2.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -157.45 55.87 0.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.731 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.763 HG13 HD23 ' B' ' 382' ' ' LEU . 0.0 OUTLIER -128.31 121.5 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.951 0.405 . . . . 0.0 110.939 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -68.1 -19.44 64.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.653 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -57.0 -36.16 70.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.437 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.65 -39.35 93.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.384 0.612 . . . . 0.0 110.382 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.929 ' HG ' HG11 ' A' ' 46' ' ' VAL . 1.7 mm? -84.14 -19.08 34.78 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.995 HD12 ' HD3' ' A' ' 67' ' ' LYS . 1.4 tp -73.51 -6.26 45.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.74 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 35.9 mt-10 -62.55 -16.24 55.09 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.416 178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.544 ' HD3' ' HE2' ' A' ' 51' ' ' LYS . 31.2 tpt180 -84.16 -23.98 30.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.318 0.58 . . . . 0.0 110.186 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.774 HG12 HD23 ' A' ' 63' ' ' LEU . 1.6 mt -62.1 -33.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.403 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 12.1 ptp180 -62.31 -23.61 66.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.932 0.396 . . . . 0.0 110.33 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -84.89 -31.93 23.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -66.49 -30.45 70.78 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.175 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 12.1 mm-40 -54.74 -41.97 71.05 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.594 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.3 -42.58 68.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.202 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -62.43 -40.3 96.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.544 ' HE3' ' HA ' ' A' ' 58' ' ' ASP . 42.2 mmtt -94.25 1.82 55.95 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.875 -178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' B' ' 397' ' ' GLU . 1.5 tt0 -71.54 -7.88 50.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 73.7 mt -65.94 -70.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.089 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 50.08 -119.16 1.27 Allowed 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.633 0.583 . . . . 0.0 111.163 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 170.86 8.42 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 21.2 ptp -70.4 -14.91 62.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.336 0.589 . . . . 0.0 110.117 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.1 p -88.96 98.9 12.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.634 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.96 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.47 0.652 . . . . 0.0 109.496 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 53.4 t-105 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.455 179.602 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 120.333 0.111 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.65 -33.61 12.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.589 2.192 . . . . 0.0 111.634 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -148.17 121.26 8.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.894 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.17 146.3 23.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m 70.19 118.18 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.891 0.744 . . . . 0.0 111.19 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt 59.31 69.06 0.75 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.356 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -81.56 -69.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.096 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.531 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -155.74 151.37 27.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.338 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' H ' HD13 ' A' ' 12' ' ' LEU . . . 66.78 64.18 3.45 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.196 -0.526 . . . . 0.0 112.499 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -141.8 24.24 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.626 0.251 . . . . 0.0 110.996 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -55.34 -48.59 73.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.5 -39.87 95.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.729 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -58.54 -47.57 83.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 9.3 m -62.61 -36.75 83.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.053 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 12.3 tpt180 -65.9 -37.13 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.174 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD11 ' HD3' ' A' ' 66' ' ' LYS . 1.2 mp -76.49 -49.05 25.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.426 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.575 ' O ' HG22 ' A' ' 24' ' ' ILE . 6.0 m -61.67 -34.06 75.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.712 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 18' ' ' SER . 37.1 t30 -63.53 -32.62 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.974 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -57.4 -44.28 84.41 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.661 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 9.1 tp -67.62 -33.75 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.549 -177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 t -75.95 -45.69 36.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.994 0.426 . . . . 0.0 110.193 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 34.9 mt -62.68 -48.84 77.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.255 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 31' ' ' VAL . 29.7 t60 -69.3 -36.55 77.12 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.106 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.661 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.0 -49.18 71.24 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.868 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.8 ptm180 -59.38 -31.83 69.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.673 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -72.16 -43.66 64.27 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG21 HD21 ' A' ' 40' ' ' LEU . 44.2 t -64.53 -46.51 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.192 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 3.3 pt-20 -63.25 -28.93 70.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.983 0.421 . . . . 0.0 110.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -79.75 -31.98 41.01 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.002 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -81.54 -67.41 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.618 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 7.1 pt-20 -103.65 -17.46 15.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 16.4 t70 72.06 -8.1 1.2 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.978 0.418 . . . . 0.0 111.852 178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -69.01 -39.07 79.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.256 0.551 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 7.2 m 60.95 19.53 9.9 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.572 -1.195 . . . . 0.0 112.515 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.57 104.87 11.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 31' ' ' VAL . 1.5 mm? -107.25 -169.06 1.48 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.499 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HB2' ' CB ' ' A' ' 44' ' ' GLU . 73.0 mmtt -97.81 141.35 30.92 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -57.33 -55.68 31.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.336 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -30.34 70.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.663 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' CB ' ' HB2' ' A' ' 41' ' ' LYS . 35.9 tt0 -59.05 -50.03 75.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.744 -179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.546 HD13 ' HE1' ' A' ' 48' ' ' TRP . 1.6 mm? -52.35 -47.47 66.06 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.031 0.443 . . . . 0.0 111.425 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.856 HG11 HD13 ' B' ' 389' ' ' LEU . 24.2 t -72.85 -42.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.975 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -49.71 -56.78 8.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.727 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.546 ' HE1' HD13 ' A' ' 45' ' ' LEU . 50.9 p-90 -69.1 -28.11 66.2 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.381 -0.528 . . . . 0.0 111.043 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CD1' HD13 ' A' ' 23' ' ' LEU . 26.2 t80 -62.38 -47.55 83.66 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 109.532 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.915 HD13 ' HE3' ' A' ' 67' ' ' LYS . 13.8 mt -64.41 -43.91 92.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.494 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 16.1 mmtt -59.04 -27.32 65.37 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.367 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -82.48 -50.88 8.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' O ' HG12 ' A' ' 57' ' ' ILE . 30.3 pt -68.38 -26.08 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.987 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HG3' HD11 ' A' ' 63' ' ' LEU . 5.1 mt-10 -63.19 -15.86 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -85.14 -15.25 44.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.417 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 8.2 pt-20 -114.32 -31.07 6.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.616 0.246 . . . . 0.0 111.236 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.841 HG21 ' HB2' ' A' ' 63' ' ' LEU . 24.6 mm -62.36 118.56 4.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.215 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' HB2' ' HB ' ' B' ' 406' ' ' THR . 36.2 t70 -108.47 -13.92 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.186 0.517 . . . . 0.0 110.585 178.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 1.4 m -118.76 130.47 55.81 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.121 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.77 -36.13 67.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.739 -0.209 . . . . 0.0 111.287 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.65 -43.03 65.21 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.578 0.549 . . . . 0.0 110.073 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.814 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.4 mm-40 -62.58 -55.56 26.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.689 179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.841 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.1 tp -59.51 -51.46 69.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.791 -179.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.776 ' HA ' HD11 ' B' ' 390' ' ' LEU . 65.4 mt -56.9 -39.19 63.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.661 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -70.17 -49.45 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.709 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HD3' HD11 ' A' ' 20' ' ' ILE . 17.6 mmtp -56.55 -44.98 81.44 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.68 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.915 ' HE3' HD13 ' A' ' 50' ' ' LEU . 36.3 mttp -65.97 -32.92 74.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.745 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -73.28 -44.32 59.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.611 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.6 mt -63.87 -49.81 80.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.267 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.602 HG21 HG13 ' A' ' 46' ' ' VAL . 9.2 tp -56.54 -41.91 74.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-O 120.527 0.203 . . . . 0.0 111.0 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HG3' ' CB ' ' B' ' 386' ' ' SER . 0.3 OUTLIER -68.19 -44.82 75.0 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.12 0.486 . . . . 0.0 110.018 179.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -61.28 -43.51 98.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.574 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.7 -43.42 95.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.53 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.0 mt -62.34 -40.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.13 0.491 . . . . 0.0 109.694 178.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -66.04 -35.86 81.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.908 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.825 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 3.3 ttt180 -68.56 -44.5 74.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.58 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.753 HD11 HD23 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -65.51 -32.61 74.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.97 -179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' HG ' ' A' ' 84' ' ' LEU . 4.1 p -86.37 -1.42 57.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -135.23 -71.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.952 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.825 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 61.7 m-85 -61.27 -57.56 11.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.775 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 62.3 m-20 -67.19 -46.99 72.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.85 0.357 . . . . 0.0 110.069 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 64.56 33.07 11.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.445 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.47 10.29 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.235 0.54 . . . . 0.0 110.316 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.753 HD23 HD11 ' A' ' 77' ' ' LEU . 1.3 tm? -91.0 130.55 36.9 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.446 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.897 ' HB ' HG13 ' A' ' 109' ' ' VAL . 12.8 mt -98.04 120.4 47.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.819 179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -146.0 142.37 28.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.068 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HB3' ' H ' ' A' ' 88' ' ' THR . 30.5 mt -95.27 -149.97 0.31 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.135 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.434 ' H ' ' HB3' ' A' ' 87' ' ' LEU . 14.3 t -63.7 136.01 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.104 0.478 . . . . 0.0 110.986 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -71.86 -29.98 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.538 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.25 115.17 7.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 111.81 -11.73 27.44 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.837 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.0 mt -84.08 -26.24 29.15 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -100.07 -48.29 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.81 6.93 20.55 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.99 -56.71 3.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.068 0.461 . . . . 0.0 110.289 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 t -107.67 133.81 51.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.195 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.52 -38.15 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.514 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.38 -138.98 15.71 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.965 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -120.29 -63.58 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.636 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.573 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 75.2 mm-40 -115.43 -76.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.838 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.9 m 54.04 41.83 31.86 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 121.23 0.538 . . . . 0.0 110.602 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.573 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 23.2 p90 -87.82 -8.81 55.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.225 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.59 -174.54 0.43 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.263 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.536 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 24.8 mm-40 -79.58 -163.26 0.5 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.8 m-20 -88.05 105.47 9.28 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 104' ' ' GLU . 12.0 Cg_endo -89.26 -68.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.865 2.377 . . . . 0.0 112.132 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.418 ' O ' HD13 ' A' ' 108' ' ' LEU . 48.1 m-85 57.91 -122.1 1.4 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.733 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.551 HD12 HD11 ' A' ' 84' ' ' LEU . 1.6 mm? -120.05 122.43 41.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.666 0.27 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.897 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -137.62 138.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.24 157.13 36.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 O-C-N 122.419 -0.176 . . . . 0.0 110.717 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -96.16 137.37 21.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 120.743 0.306 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.55 -2.4 8.31 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.4 2.733 . . . . 0.0 113.095 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -79.99 -46.83 15.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.4 t80 53.91 -150.36 0.39 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.988 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.45 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -139.12 19.55 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.173 179.535 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.5 mt -99.53 136.79 38.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.94 -32.69 74.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.359 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.302 179.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 120.678 0.275 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -70.43 143.78 51.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.896 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' B' ' 382' ' ' LEU . 0.2 OUTLIER -75.84 88.6 2.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.48 -179.725 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -79.5 71.16 6.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.59 0.709 . . . . 0.0 110.414 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -163.21 -49.0 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' B' ' 382' ' ' LEU . 20.2 m -72.73 130.76 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.413 ' CB ' ' HG3' ' A' ' 71' ' ' GLU . 15.2 m 68.03 -3.29 1.25 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.823 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' B' ' 391' ' ' GLU . 6.6 tt0 -71.42 -35.8 71.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.107 0.479 . . . . 0.0 110.165 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.515 ' HA ' ' HB2' ' B' ' 391' ' ' GLU . 9.2 p-10 -61.44 -20.6 63.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.099 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.856 HD13 HG11 ' A' ' 46' ' ' VAL . 32.3 mt -64.46 -45.95 85.2 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 64' ' ' ILE . 7.6 tp -84.15 -23.06 30.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.633 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' B' ' 388' ' ' ASP . 35.0 mt-10 -65.1 -29.22 70.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.44 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.406 ' HD3' HH11 ' B' ' 392' ' ' ARG . 7.1 tpp180 -60.13 -29.66 68.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.499 0.666 . . . . 0.0 110.854 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 67' ' ' LYS . 58.3 mt -61.77 -24.31 33.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.779 -179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -59.1 -36.46 75.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.948 0.404 . . . . 0.0 110.42 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -92.48 -13.02 30.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.216 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.435 ' HD2' ' CD2' ' A' ' 63' ' ' LEU . 11.0 tttm -76.53 -17.26 59.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -59.12 -36.57 75.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.044 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.27 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.853 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.57 -34.41 77.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.478 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.432 ' HA ' ' HE2' ' B' ' 400' ' ' LYS . 0.0 OUTLIER -59.89 -40.52 89.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.466 -179.423 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -68.11 -26.87 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.334 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 14.3 tp -100.2 21.33 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.267 0.556 . . . . 0.0 111.163 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -105.97 162.87 13.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -98.97 -116.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 47.4 ttm -97.58 -36.57 10.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 58' ' ' ASP . 1.8 m 67.13 -63.74 0.27 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.031 0.832 . . . . 0.0 112.837 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -67.48 168.16 11.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.381 -179.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.576 -0.726 . . . . 0.0 110.363 179.694 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.46 146.13 61.07 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.314 2.009 . . . . 0.0 111.993 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -90.27 126.38 35.82 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.89 123.12 49.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 m -81.56 -171.55 3.37 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 89.1 mt -78.06 -0.57 28.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.829 0.347 . . . . 0.0 111.428 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -76.01 94.59 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.095 0.474 . . . . 0.0 109.98 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -165.62 -69.93 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.23 2.96 11.45 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.431 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.662 ' HB3' ' HB2' ' A' ' 17' ' ' TYR . 22.1 m-85 -102.95 72.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.899 0.381 . . . . 0.0 110.282 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -66.64 -44.39 82.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -67.32 -48.45 67.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.843 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.662 ' HB2' ' HB3' ' A' ' 14' ' ' PHE . 23.3 m-85 -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.762 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -66.02 -40.13 90.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.204 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -58.69 -48.76 80.0 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.546 ' CG2' HG21 ' A' ' 73' ' ' VAL . 1.4 mp -65.96 -46.67 87.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -58.6 -38.03 77.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 22' ' ' ASN . 1.8 t-20 -64.78 -39.64 93.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.184 0.516 . . . . 0.0 109.629 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.43 -38.4 80.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.173 -0.922 . . . . 0.0 109.512 178.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.514 ' N ' HD13 ' A' ' 23' ' ' LEU . 4.7 mm -63.11 -52.26 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.36 -36.18 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.587 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 15.1 mt -68.28 -50.52 53.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.668 0.27 . . . . 0.0 110.67 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 31' ' ' VAL . 66.6 t60 -57.8 -47.78 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.48 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD22 HG13 ' A' ' 110' ' ' VAL . 39.3 tp -60.58 -50.29 74.12 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.4 ptm180 -62.37 -32.26 73.03 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.659 0.266 . . . . 0.0 110.767 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -72.76 -43.99 62.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.184 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 27' ' ' HIS . 38.9 t -58.4 -53.37 47.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.743 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.3 pt-20 -64.01 -27.79 69.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 111.193 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -80.42 -24.71 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -90.81 -61.85 1.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' HG3' ' HB2' ' A' ' 37' ' ' GLU . 13.4 pt-20 -106.7 -1.89 22.24 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -177.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 6.8 m-20 65.53 12.81 8.47 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 21.3 mt-10 -122.53 92.88 3.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.581 0.229 . . . . 0.0 110.615 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.58 ' HB2' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -65.14 -15.44 62.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.514 179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.736 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -81.61 103.42 11.31 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -129.11 -163.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.195 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -95.92 142.99 27.5 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.983 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.49 ' HG3' HG21 ' A' ' 74' ' ' ILE . 54.1 ttt180 -75.07 -44.32 48.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.546 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 m -60.79 -37.98 83.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 111.067 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.81 -32.25 73.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.322 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 tt -58.91 -48.05 82.81 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.682 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 21.8 t -71.99 -35.43 53.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.536 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -55.9 -58.07 9.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.68 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.401 ' HZ2' ' HB2' ' A' ' 27' ' ' HIS . 27.7 p-90 -67.64 -29.33 68.61 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.992 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.443 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t80 -59.4 -50.55 73.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.145 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.799 HD13 ' HE3' ' A' ' 67' ' ' LYS . 14.5 mt -62.73 -40.64 97.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.193 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -28.61 68.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.089 0.471 . . . . 0.0 111.438 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -84.25 -41.72 16.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.592 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.4 pt -73.69 -25.47 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.28 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.609 ' HA ' ' HB ' ' A' ' 57' ' ' ILE . 7.7 pt-20 -59.27 -21.84 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.698 0.285 . . . . 0.0 111.476 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -68.42 -19.72 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.707 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 12.5 pt-20 -116.74 -6.35 11.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 62' ' ' GLU . 23.5 mm -84.64 108.14 16.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.659 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.22 -17.21 20.0 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.259 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.7 m -120.8 134.79 55.28 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.244 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.44 72.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.471 179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -56.29 -40.29 74.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.281 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.808 ' HB3' HD12 ' A' ' 57' ' ' ILE . 4.3 mm-40 -62.58 -50.37 71.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.761 ' HB2' HG21 ' A' ' 57' ' ' ILE . 34.9 tp -61.53 -35.84 78.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.715 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.789 ' HA ' HD11 ' B' ' 390' ' ' LEU . 87.9 mt -69.95 -45.76 75.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.103 178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -62.02 -48.02 82.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.078 179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' HD13 ' A' ' 53' ' ' ILE . 3.5 tppt? -59.15 -36.38 75.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.808 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.799 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -68.05 -38.75 82.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.975 0.417 . . . . 0.0 110.343 179.578 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -64.43 -45.19 88.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.911 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -66.11 -50.46 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.606 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.604 HG21 HG13 ' A' ' 46' ' ' VAL . 10.4 tp -58.2 -40.45 77.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 CA-C-O 120.586 0.231 . . . . 0.0 111.401 -178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -72.31 -41.0 67.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.126 0.489 . . . . 0.0 110.061 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -60.59 -47.46 86.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.504 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.546 HG21 ' CG2' ' A' ' 20' ' ' ILE . 32.0 m -64.09 -36.23 76.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.124 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HG3' ' A' ' 42' ' ' ARG . 76.8 mt -69.71 -36.24 69.3 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -68.26 -38.04 81.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.359 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.617 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 25.4 ttp180 -67.7 -41.01 84.28 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 41.1 tp -63.1 -41.77 99.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.481 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.796 HG22 HD13 ' A' ' 84' ' ' LEU . 7.7 p -80.33 4.69 17.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -139.09 -69.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.624 -0.43 . . . . 0.0 112.006 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.617 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 83.6 m-85 -64.64 -56.6 12.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.689 -178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -57.98 -50.54 73.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.799 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 65.62 19.18 11.42 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.46 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.519 HG11 HD11 ' A' ' 115' ' ' LEU . 15.8 m -97.52 20.8 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.708 0.766 . . . . 0.0 110.253 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 78' ' ' THR . 1.3 pt? -90.89 153.64 20.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.86 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.899 ' HB ' HG13 ' A' ' 109' ' ' VAL . 11.3 mt -124.08 136.92 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 98.24 5.98 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 ' HG ' HG22 ' A' ' 85' ' ' ILE . 2.2 pp 171.78 177.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.24 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.522 ' H ' HD11 ' A' ' 92' ' ' LEU . 14.5 t -147.92 -0.36 0.61 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.489 ' HG3' ' C ' ' A' ' 88' ' ' THR . 0.0 OUTLIER 41.03 29.1 0.07 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.481 1.112 . . . . 0.0 113.541 -179.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.456 ' H ' HG23 ' A' ' 88' ' ' THR . . . -146.25 112.34 5.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.794 0.33 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.24 -5.95 81.33 Favored Glycine 0 CA--C 1.517 0.165 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.261 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD11 ' H ' ' A' ' 88' ' ' THR . 93.9 mt -73.3 -29.44 62.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.186 0.517 . . . . 0.0 110.726 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -117.93 -53.59 2.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -137.7 141.72 12.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.786 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -119.12 130.59 55.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.835 0.35 . . . . 0.0 110.137 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.6 m -87.81 -56.75 3.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.367 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -99.17 -47.11 5.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.681 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.91 -149.4 7.69 Favored Glycine 0 N--CA 1.442 -0.962 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.4 m 62.36 99.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.122 0.487 . . . . 0.0 111.538 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 48.6 mt-10 -120.53 -74.5 0.61 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.966 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.3 m 56.17 31.12 17.72 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.006 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.506 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 40.4 p90 -80.74 -20.31 43.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.969 0.414 . . . . 0.0 110.491 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -76.53 -6.21 50.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.093 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.516 ' HG3' ' H ' ' A' ' 105' ' ' ASP . 3.8 tp10 -120.46 -178.26 3.65 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.683 ' HB3' HD13 ' B' ' 382' ' ' LEU . 12.5 p-10 -75.2 153.27 86.26 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.333 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -65.93 -176.91 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.821 2.348 . . . . 0.0 112.205 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.736 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 42.6 m-85 -93.11 152.69 19.11 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.975 -0.29 . . . . 0.0 111.02 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.1 125.06 46.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.149 0.499 . . . . 0.0 110.973 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.899 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -136.76 142.9 36.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.705 179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.683 HG13 HD22 ' A' ' 28' ' ' LEU . 10.9 p -115.77 146.97 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -67.95 142.33 95.3 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.358 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.13 -10.83 22.3 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.086 2.524 . . . . 0.0 112.785 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -69.92 -78.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.103 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 13.3 t80 65.99 142.33 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.621 0.724 . . . . 0.0 112.251 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.519 HD11 HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.49 177.87 7.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.68 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.9 mt -121.35 171.46 8.74 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.795 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -73.04 -65.62 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.848 -0.16 . . . . 0.0 110.966 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.6 t0 . . . . . 0 C--O 1.25 1.11 0 O-C-N 123.608 0.568 . . . . 0.0 111.252 179.612 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.618 0.246 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -143.81 131.46 21.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.565 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.683 HD13 ' HB3' ' A' ' 105' ' ' ASP . 4.4 mp -104.0 11.9 34.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.507 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' A' ' 42' ' ' ARG . 12.0 tmtt? -63.49 100.51 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.574 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -99.32 -28.36 7.65 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.936 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.495 ' HA ' ' OD2' ' B' ' 388' ' ' ASP . 7.9 m -74.8 103.73 2.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 0.0 110.403 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' B' ' 389' ' ' LEU . 65.3 m -134.02 -67.79 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.113 -0.367 . . . . 0.0 111.649 -179.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -68.7 -28.06 66.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.106 0.479 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.495 ' OD2' ' HA ' ' B' ' 385' ' ' VAL . 3.5 p30 -70.55 -8.73 53.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' B' ' 386' ' ' SER . 5.3 mp -66.29 -21.4 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.306 0.574 . . . . 0.0 110.296 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.789 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.2 tp -86.93 -7.12 58.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.612 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.467 ' HG3' ' HA ' ' B' ' 388' ' ' ASP . 23.0 mt-10 -64.01 -29.02 70.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.189 0.519 . . . . 0.0 110.513 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -65.45 -28.17 69.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.5 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.439 HD12 HD23 ' A' ' 63' ' ' LEU . 12.8 mm -68.41 -23.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.213 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 394' ' ' ARG . 55.5 mtt85 -62.88 -28.67 70.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.56 -29.21 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.543 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -69.53 -39.39 77.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.38 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.84 -35.21 72.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.688 0.28 . . . . 0.0 110.851 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.83 73.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.045 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' B' ' 403' ' ' ALA . 49.2 mt-30 -66.48 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.475 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -37.79 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.708 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -92.82 -65.91 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.952 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 85.5 mt -108.68 -79.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.107 0.48 . . . . 0.0 110.886 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 399' ' ' GLN . . . -175.0 -162.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.765 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -68.29 100.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.215 0.531 . . . . 0.0 109.845 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 86.3 mmm -83.44 -6.97 59.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.004 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 22.5 m -68.28 116.62 9.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.996 0.427 . . . . 0.0 110.205 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -101.14 -0.07 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.92 -179.118 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.12 -0.943 . . . . 0.0 111.06 179.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.422 0.153 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 24.8 Cg_exo -63.37 -62.5 0.1 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.915 2.41 . . . . 0.0 111.718 179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -98.78 141.15 31.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.201 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.72 93.42 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.875 0.369 . . . . 0.0 110.657 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -71.27 -31.76 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.027 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 32.2 mt 53.14 52.49 13.59 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -129.28 41.85 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.138 0.494 . . . . 0.0 110.423 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 48.3 mt -142.33 -54.51 0.43 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.69 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.76 -88.46 0.11 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.008 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' A' ' 12' ' ' LEU . 0.4 OUTLIER 34.88 66.22 0.31 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.067 0.947 . . . . 0.0 112.561 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -25.85 64.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.058 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HG2' HD21 ' A' ' 65' ' ' ASN . 1.7 mp0 -64.84 -44.09 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.884 178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.08 -40.82 86.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 0.7 OUTLIER -61.79 -40.11 94.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.972 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -71.06 -41.46 70.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.912 0.387 . . . . 0.0 110.374 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.47 HG21 HG22 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -63.25 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.508 ' HB3' HD21 ' A' ' 116' ' ' LEU . 9.3 m -64.45 -35.02 79.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 18' ' ' SER . 27.7 t30 -62.18 -36.26 81.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -60.12 -37.49 80.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.883 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.484 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.2 mm -62.93 -53.15 50.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.871 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -71.41 -39.87 72.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.402 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 30.7 mt -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.609 0.243 . . . . 0.0 111.507 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' HD2' HD22 ' A' ' 40' ' ' LEU . 72.3 t60 -66.58 -41.05 89.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.448 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 38' ' ' SER . 2.4 tm? -60.33 -50.78 72.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.269 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.661 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 4.5 ptm180 -66.5 -30.06 70.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.421 . . . . 0.0 111.188 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -68.13 -48.91 64.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.43 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.2 m -72.56 -32.51 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.484 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.661 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -73.65 -28.73 61.93 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.574 -179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -89.03 -44.31 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -84.33 -64.17 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.889 0.376 . . . . 0.0 111.945 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -75.6 -14.56 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.762 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.1 t0 58.1 32.75 22.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.527 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -143.18 104.96 4.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.51 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.607 ' HB3' HD21 ' A' ' 28' ' ' LEU . 15.6 m -74.78 3.85 7.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.104 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.87 116.48 24.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.349 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 HD22 ' HD2' ' A' ' 27' ' ' HIS . 1.1 pp -126.22 160.75 29.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.495 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -89.83 120.77 31.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.553 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.55 -40.5 71.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.072 -179.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -71.23 -32.97 69.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.97 0.414 . . . . 0.0 110.898 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -76.01 -36.1 59.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD12 ' HE1' ' A' ' 48' ' ' TRP . 39.4 tp -56.21 -49.46 74.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.574 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.77 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 12.7 t -71.11 -32.26 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -54.31 -60.56 3.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.992 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.429 ' HE1' HD12 ' A' ' 45' ' ' LEU . 58.4 p-90 -67.24 -28.8 68.35 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.338 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.5 t80 -60.52 -45.5 93.58 Favored 'General case' 0 C--O 1.233 0.184 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.77 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -71.84 -42.3 67.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.004 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.539 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -59.01 -27.28 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.904 0.383 . . . . 0.0 111.145 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 60.0 mm-40 -85.02 -48.85 8.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.693 ' O ' HG12 ' A' ' 57' ' ' ILE . 38.8 pt -70.54 -27.44 31.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.941 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 7.5 pt-20 -60.12 -22.28 62.61 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -72.92 -22.18 60.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.758 0.313 . . . . 0.0 110.866 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -109.58 -17.28 13.77 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 120.777 0.322 . . . . 0.0 110.988 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.896 HG21 ' HB2' ' A' ' 63' ' ' LEU . 31.8 mm -70.37 107.04 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.963 0.411 . . . . 0.0 111.29 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -108.27 -7.38 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.5 m -124.77 130.34 52.21 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.425 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -57.99 -36.28 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.99 -34.85 72.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.067 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.787 ' HB3' HD12 ' A' ' 57' ' ' ILE . 7.3 mm-40 -64.25 -49.3 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.501 0.667 . . . . 0.0 109.897 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.896 ' HB2' HG21 ' A' ' 57' ' ' ILE . 13.0 tp -64.67 -44.69 89.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.38 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.85 -44.62 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.41 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.458 HD21 ' HG2' ' A' ' 16' ' ' GLU . 3.2 t30 -63.99 -50.71 67.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.301 . . . . 0.0 111.287 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -56.93 -42.32 79.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.627 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.732 ' HZ3' HD11 ' B' ' 393' ' ' ILE . 0.2 OUTLIER -70.54 -37.66 74.09 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.624 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -59.93 -41.55 92.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.045 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.47 HG22 HG21 ' A' ' 20' ' ' ILE . 36.4 mt -72.71 -50.22 35.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.387 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.4 tp -59.81 -39.44 79.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -36.74 73.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.197 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -70.19 -50.83 36.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.652 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.6 m -59.65 -36.99 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.977 ' HA ' HD23 ' A' ' 77' ' ' LEU . 74.8 mt -68.6 -47.05 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -63.7 -36.2 83.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.353 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.761 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 11.2 ttt180 -71.07 -46.19 62.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.524 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.977 HD23 ' HA ' ' A' ' 74' ' ' ILE . 0.3 OUTLIER -55.75 -34.08 64.88 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.498 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 74' ' ' ILE . 1.3 t -92.13 -36.86 13.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -85.21 -72.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.761 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 38.9 m-85 -65.4 -51.31 61.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.073 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.556 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -74.65 -33.37 62.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.7 m170 58.84 36.63 24.79 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.069 0.938 . . . . 0.0 108.54 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.746 HG13 ' HG3' ' A' ' 112' ' ' PRO . 1.0 OUTLIER -91.04 -13.98 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 113.812 -1.54 . . . . 0.0 111.431 -177.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.481 HD13 HD11 ' A' ' 77' ' ' LEU . 20.2 tp -89.16 141.04 28.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.323 -179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.918 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.6 mp -108.26 136.37 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.235 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.53 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -133.01 117.72 17.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.21 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.691 ' O ' ' HB ' ' A' ' 88' ' ' THR . 48.7 mt -153.11 -161.89 1.37 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.239 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.694 ' O ' ' HG3' ' A' ' 89' ' ' GLN . 1.1 t 163.04 6.97 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.979 0.512 . . . . 0.0 111.136 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.694 ' HG3' ' O ' ' A' ' 88' ' ' THR . 0.0 OUTLIER 47.5 25.11 0.58 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.679 1.192 . . . . 0.0 113.739 -179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -139.4 113.48 8.78 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.343 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.23 -52.6 4.32 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.562 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.54 HD21 HG22 ' A' ' 88' ' ' THR . 1.3 pp -81.82 12.62 3.83 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.804 0.335 . . . . 0.0 111.333 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -151.68 -56.73 0.15 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.422 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -153.07 169.47 32.0 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.954 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 m -104.2 91.11 3.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.922 0.392 . . . . 0.0 110.054 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.615 ' HB ' ' HB3' ' A' ' 99' ' ' SER . 0.0 OUTLIER -72.04 126.08 28.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.536 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -93.55 -40.33 10.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.375 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.18 -26.58 30.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.515 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.615 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 11.7 t -76.44 153.54 35.54 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -52.51 -48.32 66.09 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.601 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 m 54.08 40.16 31.36 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.404 0.621 . . . . 0.0 110.946 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -75.37 -24.2 57.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.484 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -73.12 143.93 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 111.366 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -131.64 -22.7 2.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.495 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -101.1 149.39 36.21 Favored Pre-proline 0 C--N 1.319 -0.761 0 CA-C-N 114.482 -1.235 . . . . 0.0 108.934 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -80.7 166.65 19.34 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 121.578 1.519 . . . . 0.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.53 ' O ' ' HA ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -112.49 136.57 51.84 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.071 -179.411 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.537 HD11 HD11 ' B' ' 382' ' ' LEU . 68.7 mt -96.25 136.53 36.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.307 0.575 . . . . 0.0 112.476 -177.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.918 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -145.93 142.47 21.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.005 178.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 p -125.63 103.63 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.555 ' ND2' HD11 ' A' ' 28' ' ' LEU . 18.6 m120 -143.91 70.1 16.7 Favored Pre-proline 0 CA--C 1.507 -0.69 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.417 176.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.746 ' HG3' HG13 ' A' ' 83' ' ' VAL . 23.7 Cg_endo -94.82 11.75 1.59 Allowed 'Trans proline' 0 N--CA 1.442 -1.549 0 N-CA-C 107.117 -1.916 . . . . 0.0 107.117 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 60.16 55.53 3.64 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 -175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -35.85 130.51 0.59 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 112.54 -2.118 . . . . 0.0 113.007 -177.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.667 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -96.45 -168.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.846 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 21' ' ' SER . 0.1 OUTLIER 73.86 131.22 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.987 0.898 . . . . 0.0 111.81 179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -133.72 -32.97 1.09 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.702 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.1 t0 . . . . . 0 C--O 1.248 1.023 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.276 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.789 0.328 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -73.07 136.37 44.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.1 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.537 HD11 HD11 ' A' ' 108' ' ' LEU . 5.8 mp 55.48 55.16 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.531 0.52 . . . . 0.0 110.858 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -72.11 -65.05 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -120.96 39.33 2.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.522 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.412 HG21 HD23 ' B' ' 382' ' ' LEU . 29.1 m -69.54 160.08 5.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 121.32 -0.152 . . . . 0.0 110.722 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.792 ' HA ' HD23 ' B' ' 389' ' ' LEU . 17.1 m 74.68 -33.37 0.24 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.58 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.16 -31.69 72.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.084 0.468 . . . . 0.0 110.635 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.69 -28.44 66.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.075 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.792 HD23 ' HA ' ' B' ' 386' ' ' SER . 1.4 mm? -67.48 -42.88 82.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.048 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.574 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 15.2 tp -79.48 -22.31 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.487 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.623 ' HG3' ' HD3' ' B' ' 394' ' ' ARG . 31.7 tt0 -64.59 -24.28 67.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.065 0.46 . . . . 0.0 110.009 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.497 HH22 ' CD ' ' A' ' 54' ' ' GLU . 58.1 ttt180 -61.63 -28.97 69.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 109.637 178.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.732 HD11 ' HZ3' ' A' ' 67' ' ' LYS . 1.5 mp -61.22 -31.97 51.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.981 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.623 ' HD3' ' HG3' ' B' ' 391' ' ' GLU . 19.4 mtp180 -70.11 -25.41 63.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.855 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -90.25 -39.15 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.142 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -80.74 -7.37 59.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.318 -179.029 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.89 -31.35 70.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -62.81 -33.22 74.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -74.5 -41.76 60.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.072 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.752 ' HA ' ' HE2' ' B' ' 400' ' ' LYS . 2.6 mmpt? -74.21 -12.11 60.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.008 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -68.89 -34.58 75.65 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 47.8 mt -90.0 -61.47 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.717 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 55.44 -138.74 1.03 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.233 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -133.54 -54.24 0.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.21 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 10.9 ttt -106.33 -45.37 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 111.525 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 6.5 m -141.43 144.08 34.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.762 0.315 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -69.81 158.8 34.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.215 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.85 113.02 2.18 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.584 2.189 . . . . 0.0 111.835 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 19.0 ttpt -127.66 -68.4 0.78 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.238 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.17 147.1 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.757 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -122.5 -43.85 2.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.6 4.75 0.44 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 11' ' ' ARG . 44.5 ttm105 -79.22 -62.1 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.177 -0.327 . . . . 0.0 111.296 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.3 tp -149.15 140.34 23.09 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.47 64.83 2.29 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.988 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 10.5 p90 -142.7 32.68 1.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.945 0.402 . . . . 0.0 110.699 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -60.33 -48.21 82.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.02 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.41 -34.46 77.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.238 0.542 . . . . 0.0 109.753 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 63.6 m-85 -62.11 -49.25 76.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.799 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.6 m -54.89 -43.21 73.0 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.414 0.446 . . . . 0.0 111.704 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 19.5 mmm-85 -62.21 -49.67 74.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.182 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.473 HG21 HG21 ' A' ' 73' ' ' VAL . 1.7 mp -66.54 -45.85 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 m -57.08 -42.49 80.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -67.47 -37.55 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.59 -41.21 89.75 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.568 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -63.37 -47.99 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.185 179.383 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.77 -50.86 68.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.326 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.98 -50.84 71.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -66.11 -35.57 80.86 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.705 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -45.95 88.54 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -59.78 -36.55 76.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.281 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.48 -55.55 13.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.19 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.96 -38.64 82.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 -177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.674 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -67.22 -31.99 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 111.341 -179.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.43 -31.73 42.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.781 0.324 . . . . 0.0 110.977 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -88.82 -66.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 37' ' ' GLU . 14.7 pt-20 -101.54 -16.99 16.6 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.674 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 32.8 t70 64.15 32.18 12.79 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.43 0.633 . . . . 0.0 109.961 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 43.1 mt-10 -145.73 111.11 5.37 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.868 -178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 p -106.85 13.08 28.23 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.788 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.666 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -83.86 154.44 23.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.669 0.271 . . . . 0.0 111.619 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 tp 61.81 86.19 0.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.743 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -175.17 29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.537 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -57.59 -62.33 1.86 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.793 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -79.61 -31.3 41.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -61.12 -40.8 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.525 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 74' ' ' ILE . 16.2 tp -54.83 -56.37 20.19 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.516 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 46' ' ' VAL . 1.1 p -68.64 -32.63 55.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.518 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -59.29 -57.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.726 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -67.54 -35.12 78.46 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.637 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 15.9 t80 -52.13 -51.4 58.15 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.174 0.511 . . . . 0.0 110.934 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.863 HD13 ' HE2' ' A' ' 67' ' ' LYS . 5.8 mt -75.67 -42.74 50.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.691 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.65 -30.96 69.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -78.6 -36.87 43.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.623 0.249 . . . . 0.0 111.168 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.5 pt -90.9 -7.17 10.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mt-10 -56.06 -18.31 9.28 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.771 0.32 . . . . 0.0 111.696 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -36.89 74.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.356 178.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.42 -15.95 28.12 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 121.36 0.6 . . . . 0.0 109.502 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 62' ' ' GLU . 33.5 mm -81.91 89.31 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.409 178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 30.3 t70 -90.9 -9.57 45.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.732 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.9 t -119.54 141.78 48.93 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -60.88 -37.1 81.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.9 -39.45 77.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.975 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 57' ' ' ILE . 6.0 mm-40 -63.26 -45.38 91.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.785 HD22 ' HE2' ' B' ' 396' ' ' LYS . 23.3 tp -66.65 -44.47 81.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.339 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.715 ' HA ' HD11 ' B' ' 390' ' ' LEU . 61.2 mt -64.29 -37.46 79.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.113 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.9 t30 -65.2 -55.1 20.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.582 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' O ' HG22 ' A' ' 70' ' ' ILE . 6.2 mmtm -61.74 -47.44 85.23 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.492 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.883 ' HD2' HD12 ' B' ' 390' ' ' LEU . 12.6 ttmm -62.08 -48.34 80.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.496 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HA ' ' HG2' ' A' ' 71' ' ' GLU . 68.5 mtt180 -63.75 -24.94 67.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 65' ' ' ASN . 28.3 mm -78.92 -47.56 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.771 178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.504 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.7 tp -70.65 -36.87 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.603 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' A' ' 68' ' ' ARG . 13.8 pt-20 -68.33 -34.31 75.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.066 0.46 . . . . 0.0 110.111 179.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -74.11 -47.02 39.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.268 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 70' ' ' ILE . 27.2 m -61.04 -36.61 73.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.932 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.477 HD11 HD23 ' A' ' 45' ' ' LEU . 70.1 mt -64.91 -44.02 96.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 120.891 0.377 . . . . 0.0 110.463 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.03 -36.17 74.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.16 0.505 . . . . 0.0 109.93 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.5 ttp180 -70.64 -35.96 73.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.786 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.021 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 62.0 tp -58.42 -43.04 88.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.979 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.63 4.92 26.33 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -134.7 -50.72 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -102.14 -41.81 6.28 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 1.021 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 11.0 m-20 -64.05 -49.77 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 81' ' ' ASP . 24.7 m80 68.27 19.65 8.97 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.432 0.458 . . . . 0.0 111.164 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' A' ' 114' ' ' TYR . 51.6 t -85.73 -16.16 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.77 0.795 . . . . 0.0 110.143 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD21 HD22 ' A' ' 108' ' ' LEU . 8.6 tt -90.84 136.4 33.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.002 -179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.813 ' HB ' HG13 ' A' ' 109' ' ' VAL . 5.1 mp -102.02 131.34 50.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.466 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -136.97 140.4 42.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.838 0.352 . . . . 0.0 110.612 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.29 -126.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.8 t -148.55 151.56 35.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -88.48 -4.22 58.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.22 0.533 . . . . 0.0 109.883 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -93.82 130.42 39.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.758 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.97 12.48 63.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.554 -0.832 . . . . 0.0 112.811 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.3 mt -87.86 -68.03 0.79 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -117.07 -0.49 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.518 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 117.99 -74.5 0.29 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.336 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m 60.46 18.6 8.35 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.031 0.532 . . . . 0.0 111.85 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 45.45 77.64 0.07 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.376 0.671 . . . . 0.0 112.333 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 56.35 82.13 0.12 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.622 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.51 -62.24 2.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.295 -0.955 . . . . 0.0 111.548 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.7 m 64.37 -72.02 0.06 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.731 0.813 . . . . 0.0 112.444 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 13.2 mt-10 -84.88 154.28 22.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.024 0.44 . . . . 0.0 111.532 -178.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.9 m -140.1 45.01 1.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.606 0.717 . . . . 0.0 109.616 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.502 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 51.1 p90 -87.75 -28.23 21.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.793 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -70.87 -74.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -100.71 156.07 17.54 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.729 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -95.08 144.11 27.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.92 -171.98 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.414 2.076 . . . . 0.0 111.417 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -63.76 104.14 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.744 0.307 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.666 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 54.6 mt -92.6 118.99 31.6 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 120.924 0.392 . . . . 0.0 110.646 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.813 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -121.08 146.81 25.49 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.724 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -117.56 146.48 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.581 0.229 . . . . 0.0 110.99 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -110.49 158.21 36.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.423 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -66.78 -2.68 8.06 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.088 2.525 . . . . 0.0 113.232 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -85.35 23.81 1.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.917 0.389 . . . . 0.0 110.767 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.754 ' HA ' HG21 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -64.1 -52.5 58.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.02 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.585 HD22 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -148.53 -176.38 5.29 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.5 mt -102.0 1.37 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.211 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.98 -36.79 29.64 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.68 0.613 . . . . 0.0 110.178 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.874 179.688 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 120.721 0.296 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -139.58 122.72 16.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.89 0.376 . . . . 0.0 110.707 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 60.8 mt -111.22 131.15 55.35 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -133.3 -62.33 0.79 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.635 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 72.0 -103.15 1.25 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.697 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.99 103.35 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.111 0.482 . . . . 0.0 110.607 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.31 -81.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.271 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -57.93 -26.55 62.38 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.94 -26.14 65.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.072 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.99 -30.42 31.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.3 tp -76.07 -12.24 60.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.86 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -69.36 -24.88 63.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.416 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.42 ' NH2' HE22 ' B' ' 399' ' ' GLN . 19.4 tpt180 -66.34 -30.32 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.275 0.56 . . . . 0.0 110.252 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 8.3 mt -66.55 -21.42 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.473 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' B' ' 394' ' ' ARG . 3.5 mmp_? -65.04 -26.78 68.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.024 0.44 . . . . 0.0 110.182 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.32 -23.74 14.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.785 ' HE2' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -58.88 -30.85 68.06 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.387 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.85 -55.87 19.99 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.918 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -70.53 -39.05 74.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.181 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . 0.42 HE22 ' NH2' ' B' ' 392' ' ' ARG . 99.4 mt-30 -60.49 -31.21 70.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.146 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' A' ' 58' ' ' ASP . 62.9 tttm -75.12 -43.9 50.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.684 0.278 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.03 -31.63 70.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.772 0.796 . . . . 0.0 109.914 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -96.25 25.57 4.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.05 75.81 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.469 0.652 . . . . 0.0 111.154 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.18 -43.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.735 -1.121 . . . . 0.0 108.208 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 66.1 mtt -99.55 -45.45 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.49 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 1.2 m 59.15 48.0 11.06 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.509 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -130.42 24.0 5.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.264 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 7.7 t90 . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.108 -0.949 . . . . 0.0 110.08 -179.136 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.59 -32.36 95.9 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.771 2.314 . . . . 0.0 112.331 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -92.24 172.31 8.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.31 132.39 39.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.508 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -117.13 103.67 10.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.143 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.8 mt 50.05 82.11 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.881 0.738 . . . . 0.0 111.503 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -112.67 -74.12 0.64 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.706 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.68 125.68 29.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.482 -178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.1 5.71 89.46 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.047 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -126.06 22.78 7.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.196 0.522 . . . . 0.0 110.581 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.9 m -67.63 -39.84 84.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.143 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.42 -40.48 81.21 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.37 -45.84 83.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.235 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -58.93 -42.02 88.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.404 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.76 -49.34 77.89 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.034 0.445 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.99 -46.06 92.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.608 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 m -56.7 -41.76 77.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.58 -45.85 88.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.747 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.16 -40.41 81.31 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.282 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -62.88 -52.37 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.767 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 m -71.14 -36.36 62.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.608 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 20.5 mt -61.84 -51.1 69.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.644 0.259 . . . . 0.0 111.297 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.508 ' O ' HG23 ' A' ' 31' ' ' VAL . 16.6 t-80 -64.35 -44.53 91.2 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.239 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' HG13 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -60.55 -46.77 88.98 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 12.8 ptm180 -63.76 -32.87 74.52 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.626 0.251 . . . . 0.0 111.141 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -72.52 -39.65 67.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.335 0.588 . . . . 0.0 109.45 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.906 HG21 HD11 ' A' ' 40' ' ' LEU . 45.1 t -63.57 -51.78 66.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.078 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 11.9 pt-20 -63.15 -28.35 70.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.746 0.308 . . . . 0.0 111.301 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -71.76 -47.22 55.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.432 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -95.21 -68.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 13.1 mt-10 -67.2 -35.18 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.59 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 35' ' ' GLU . 31.5 t70 76.98 -30.22 0.17 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 111.246 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -86.14 82.62 8.0 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG11 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -72.7 33.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.117 -179.093 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.38 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.906 HD11 HG21 ' A' ' 31' ' ' VAL . 5.4 mt 57.99 -136.68 0.95 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.957 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HB3' ' HB2' ' A' ' 44' ' ' GLU . 8.2 tptm -141.25 134.96 30.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.491 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -54.57 -49.88 69.31 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.1 t -71.27 -28.5 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.604 0.24 . . . . 0.0 111.08 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.675 ' HB2' ' HB3' ' A' ' 41' ' ' LYS . 19.6 tt0 -66.07 -34.74 78.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.051 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 41' ' ' LYS . 46.9 mt -58.09 -50.16 74.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.216 0.532 . . . . 0.0 110.087 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.796 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -73.58 -33.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.571 179.211 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -49.76 -59.2 4.04 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' CH2' HD23 ' A' ' 23' ' ' LEU . 44.7 p-90 -70.03 -29.23 66.22 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.421 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 24.3 t80 -57.43 -47.84 80.71 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.992 HD22 ' HG2' ' A' ' 67' ' ' LYS . 1.9 mt -66.22 -40.61 90.42 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.142 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HE2' ' NH1' ' B' ' 392' ' ' ARG . 17.7 mmtt -58.18 -31.39 67.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.402 0.62 . . . . 0.0 111.655 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -85.94 -43.73 12.96 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.068 -179.212 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.677 ' O ' HG12 ' A' ' 57' ' ' ILE . 32.2 pt -77.16 -20.43 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.754 0.311 . . . . 0.0 111.426 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 14.4 pt-20 -69.26 -9.17 51.87 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.164 0.506 . . . . 0.0 111.459 -178.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -81.22 -22.9 38.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.067 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -104.85 -29.52 10.46 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.918 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.79 HG21 ' HB2' ' A' ' 63' ' ' LEU . 47.7 mm -59.42 111.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.254 0.55 . . . . 0.0 111.64 -179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' HE2' ' B' ' 400' ' ' LYS . 27.4 t70 -108.65 -17.14 14.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.132 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.8 m -114.16 130.32 56.61 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.375 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.46 ' HG2' HD11 ' A' ' 64' ' ' ILE . 28.7 tt0 -53.84 -38.86 65.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.366 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -58.06 -39.4 78.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.718 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB2' HG23 ' A' ' 57' ' ' ILE . 78.8 mm-40 -65.41 -44.21 88.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.527 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.79 ' HB2' HG21 ' A' ' 57' ' ' ILE . 12.0 tp -63.6 -48.17 78.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.243 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.684 ' HA ' HD11 ' B' ' 390' ' ' LEU . 51.7 mt -59.35 -40.96 82.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.834 179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.1 t30 -60.64 -57.02 14.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.542 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 70' ' ' ILE . 38.2 mmtm -56.23 -47.26 78.8 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.992 ' HG2' HD22 ' A' ' 50' ' ' LEU . 76.5 mttt -65.86 -34.64 78.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -74.38 -38.27 63.21 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.67 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 65' ' ' ASN . 41.2 mm -68.46 -49.54 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.392 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.524 HG12 ' HB ' ' A' ' 46' ' ' VAL . 7.7 tp -58.64 -44.44 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.526 0.203 . . . . 0.0 110.866 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.14 -44.71 94.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.251 0.548 . . . . 0.0 110.057 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.6 -44.99 85.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.903 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.1 t -63.06 -42.66 97.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.558 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.428 ' HA ' HD23 ' A' ' 77' ' ' LEU . 97.5 mt -60.89 -43.63 96.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -65.97 -37.1 85.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.43 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.615 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 13.2 ttm180 -70.65 -41.58 71.95 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.49 -33.48 76.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.265 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.786 HG22 ' HG ' ' A' ' 84' ' ' LEU . 8.4 p -86.76 4.23 41.75 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.52 -60.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 74.5 m-85 -72.98 -55.67 6.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.875 0.369 . . . . 0.0 111.585 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.795 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -63.61 -45.56 89.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.779 -178.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 65.25 26.21 12.24 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.378 0.608 . . . . 0.0 110.473 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG22 ' HB3' ' A' ' 81' ' ' ASP . 26.9 m -94.97 13.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.559 0.695 . . . . 0.0 109.877 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.786 ' HG ' HG22 ' A' ' 78' ' ' THR . 1.3 tm? -90.28 126.57 35.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.797 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.855 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.0 mt -97.73 126.1 50.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.196 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -146.51 143.29 28.82 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.094 178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.5 mt -103.73 -83.63 0.48 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.111 0.481 . . . . 0.0 110.585 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -137.87 151.58 48.18 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.821 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -95.97 -22.35 17.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.689 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.8 131.47 37.61 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA2' ' OG ' ' A' ' 99' ' ' SER . . . 105.04 -8.6 45.73 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.579 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.72 18.74 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.006 0.432 . . . . 0.0 110.974 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.8 tttt -117.2 -53.28 2.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 157.75 77.95 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.085 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.9 t -80.11 135.05 36.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.604 0.24 . . . . 0.0 110.787 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.0 m -74.8 -40.24 61.23 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.087 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -84.43 -17.16 40.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.59 114.04 2.37 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.714 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.467 ' OG ' ' HA2' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -97.25 166.41 11.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.767 0.318 . . . . 0.0 110.363 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.587 ' HB3' ' HD1' ' A' ' 102' ' ' TYR . 29.3 mt-10 -84.69 96.98 9.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.978 0.418 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.11 17.15 3.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.787 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.587 ' HD1' ' HB3' ' A' ' 100' ' ' GLU . 17.9 p90 -64.92 -25.0 67.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.83 156.71 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.76 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.3 mp0 -64.08 143.58 57.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.745 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.506 ' HB2' ' CE2' ' A' ' 107' ' ' TYR . 7.8 p-10 -78.69 125.86 83.58 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.548 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 105' ' ' ASP . 1.9 Cg_endo -83.0 -67.0 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 123.257 2.638 . . . . 0.0 112.483 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.506 ' CE2' ' HB2' ' A' ' 105' ' ' ASP . 53.8 m-85 62.89 -148.52 0.35 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.914 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.522 HD12 HD11 ' A' ' 84' ' ' LEU . 1.4 mm? -104.74 124.3 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.158 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.855 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -137.67 139.3 43.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.504 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.543 HG13 ' HG ' ' A' ' 28' ' ' LEU . 3.9 p -102.5 143.71 14.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 120.825 0.345 . . . . 0.0 111.238 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -61.08 149.16 82.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.592 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.13 1.61 7.03 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.46 2.107 . . . . 0.0 111.387 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -119.19 90.01 3.25 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.467 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.442 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 8.7 t80 -106.59 130.73 54.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.223 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.542 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -116.57 173.96 6.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.139 0.495 . . . . 0.0 111.486 -179.147 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 118' ' ' ASP . 0.4 OUTLIER -96.59 167.64 11.02 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.404 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -65.44 -67.5 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.596 ' HB2' HD13 ' A' ' 116' ' ' LEU . 24.9 t0 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.089 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 120.553 0.216 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -125.26 111.24 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.679 0.276 . . . . 0.0 110.605 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' B' ' 382' ' ' LEU . 12.2 mt -72.95 144.7 47.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.436 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt 65.65 -90.22 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.208 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 83.28 -60.51 4.88 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.435 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.39 103.83 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.301 0.572 . . . . 0.0 111.445 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 22.1 m -135.0 -64.43 0.66 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.823 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' B' ' 391' ' ' GLU . 29.4 pt20 -72.18 -23.63 61.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.259 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.86 -37.27 66.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.525 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 46' ' ' VAL . 1.5 mm? -69.24 -34.46 74.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.175 0.512 . . . . 0.0 110.631 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 64' ' ' ILE . 1.1 mp -81.62 -15.84 53.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.027 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 98.6 mt-10 -64.17 -13.2 46.86 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.854 0.359 . . . . 0.0 111.566 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.661 ' NH1' ' HE2' ' A' ' 51' ' ' LYS . 25.5 ttm180 -84.32 -20.78 31.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.603 0.716 . . . . 0.0 110.09 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.651 HD12 ' HG ' ' B' ' 390' ' ' LEU . 10.7 mt -69.2 -33.46 58.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.094 -178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 13.2 ptp180 -59.65 -23.59 63.17 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.574 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -83.23 -31.97 26.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.431 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.434 ' HD2' HD22 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -73.0 -24.69 60.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.006 179.59 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 401' ' ' GLN . 31.7 tt0 -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.957 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.49 74.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.679 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' B' ' 402' ' ' LEU . 2.5 tm0? -68.1 -39.68 82.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.22 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' A' ' 58' ' ' ASP . 36.1 tptt -71.3 -28.37 64.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.413 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' B' ' 397' ' ' GLU . 46.6 mt-30 -65.53 -14.06 60.23 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.985 0.422 . . . . 0.0 110.736 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' B' ' 399' ' ' GLN . 4.0 mp -70.62 -9.92 58.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.902 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -71.27 -26.65 62.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.789 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.69 131.19 3.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.601 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 48.1 ttm -73.93 -58.54 3.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.264 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -63.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.237 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -118.04 -30.21 5.4 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.435 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 45.8 t90 . . . . . 0 C--O 1.25 1.081 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.164 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 120.422 0.154 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.06 104.71 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.657 2.238 . . . . 0.0 112.046 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -78.63 99.84 6.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.53 -99.26 0.06 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.97 0.794 . . . . 0.0 112.434 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m 68.72 -69.9 0.14 Allowed 'General case' 0 CA--C 1.533 0.297 0 O-C-N 123.753 0.658 . . . . 0.0 111.266 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 HD11 ' HG ' ' A' ' 116' ' ' LEU . 38.8 mt -95.23 104.27 16.16 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -153.47 -56.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.012 0.434 . . . . 0.0 110.376 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 mt -101.67 -46.54 4.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.312 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.69 137.64 13.38 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HE1' ' HB3' ' A' ' 10' ' ' LEU . 67.8 m-85 -135.69 -50.19 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 m -60.6 -39.37 87.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.588 ' HG3' HD21 ' A' ' 65' ' ' ASN . 12.3 mp0 -55.54 -50.98 68.59 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.328 0.585 . . . . 0.0 109.681 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -58.48 -46.3 86.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.724 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 m -56.17 -45.97 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.687 0.279 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -67.47 -32.96 74.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.388 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -78.14 -51.34 17.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 25' ' ' VAL . 13.7 m -59.27 -37.45 77.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.049 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.13 -36.62 75.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.933 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -57.77 -48.15 80.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' HG11 ' A' ' 110' ' ' VAL . 10.7 tp -70.93 -38.18 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.207 -177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 21' ' ' SER . 59.8 t -66.56 -47.04 84.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.985 0.421 . . . . 0.0 110.059 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.08 -40.31 90.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.123 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -61.82 -41.58 97.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.999 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -69.38 -45.38 69.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.541 179.797 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.595 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 85.1 mtt180 -58.67 -34.09 70.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.98 0.419 . . . . 0.0 111.033 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -71.85 -46.68 57.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 28' ' ' LEU . 25.9 m -73.4 -33.1 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.765 ' HA ' ' H ' ' A' ' 37' ' ' GLU . 5.5 pt-20 -69.52 -29.31 66.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.918 0.389 . . . . 0.0 110.858 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -76.46 -39.63 52.75 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.028 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -88.34 -69.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.505 ' HB2' ' OG ' ' A' ' 38' ' ' SER . 0.1 OUTLIER -97.05 4.19 51.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 1.5 m-20 60.19 66.07 1.01 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.634 0.584 . . . . 0.0 111.921 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.765 ' H ' ' HA ' ' A' ' 32' ' ' GLU . 2.8 mt-10 69.26 98.64 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.666 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.505 ' OG ' ' HB2' ' A' ' 35' ' ' GLU . 8.4 m -108.16 16.39 23.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.046 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 60.78 -159.76 0.31 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.812 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.34 169.39 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 110.976 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.89 ' HB3' ' HB3' ' A' ' 44' ' ' GLU . 39.0 ttmt -108.32 138.13 45.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.508 ' HG3' HG21 ' A' ' 74' ' ' ILE . 50.8 ttt180 -52.23 -61.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -178.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 2.5 m -73.82 -30.15 62.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.89 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 37.1 tt0 -64.64 -42.95 95.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.276 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.4 tp -50.57 -53.53 29.73 Favored 'General case' 0 CA--C 1.522 -0.105 0 O-C-N 123.471 0.482 . . . . 0.0 111.168 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.822 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.64 -37.46 56.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.566 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 43' ' ' SER . 53.3 t30 -52.26 -53.12 47.91 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -70.24 -28.62 65.39 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.651 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' CD1' HD13 ' A' ' 23' ' ' LEU . 36.0 t80 -60.6 -49.57 77.01 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.822 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 10.2 mt -59.92 -47.53 85.41 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.124 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HE2' ' HE ' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -55.42 -28.51 54.65 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -82.85 -37.63 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.704 ' O ' HG12 ' A' ' 57' ' ' ILE . 29.4 pt -90.78 -21.1 6.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.909 ' HG2' HD21 ' A' ' 63' ' ' LEU . 56.7 mt-10 -60.42 -21.99 62.88 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.72 -29.54 40.66 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -94.49 -35.34 12.34 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.054 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.919 HG21 ' HB2' ' A' ' 63' ' ' LEU . 41.1 mm -56.5 118.02 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.186 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -100.55 -24.6 14.42 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.591 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.1 m -113.59 129.57 56.54 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.363 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.59 -36.87 47.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.487 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -52.02 -49.08 64.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 123.444 0.465 . . . . 0.0 111.092 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' HB2' HG23 ' A' ' 57' ' ' ILE . 65.7 mm-40 -59.83 -50.58 73.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.919 ' HB2' HG21 ' A' ' 57' ' ' ILE . 11.4 tp -63.08 -52.84 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.642 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 HD21 ' B' ' 390' ' ' LEU . 46.6 mt -57.49 -38.5 63.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 123.319 0.387 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.588 HD21 ' HG3' ' A' ' 16' ' ' GLU . 1.6 t30 -64.31 -47.35 79.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.074 178.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -58.65 -41.39 85.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.926 ' HD2' HD12 ' B' ' 390' ' ' LEU . 43.8 mttt -68.29 -32.06 71.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 29.7 mtm180 -68.67 -41.7 78.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.11 0.481 . . . . 0.0 110.864 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.0 mm -72.16 -44.32 65.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.595 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG22 ' HA ' ' A' ' 67' ' ' LYS . 10.1 tp -64.04 -41.62 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -32.01 68.9 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.062 -0.399 . . . . 0.0 110.311 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -67.83 -46.76 70.9 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.546 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.1 m -63.35 -39.71 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.657 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.508 HG21 ' HG3' ' A' ' 42' ' ' ARG . 73.1 mt -66.24 -45.88 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -64.8 -32.17 73.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.475 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.773 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.8 OUTLIER -75.15 -45.86 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.429 179.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.586 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -57.08 -46.59 82.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.273 -179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.629 ' HA ' HD22 ' A' ' 84' ' ' LEU . 10.9 t -82.45 4.45 24.15 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -138.03 -69.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.392 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.773 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 94.1 m-85 -66.04 -44.75 83.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.586 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 29.1 m-20 -79.81 -53.63 6.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.812 -178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 t60 64.91 26.18 12.8 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.9 13.6 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 121.929 0.871 . . . . 0.0 110.123 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 78' ' ' THR . 2.3 pt? -94.42 163.05 13.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.585 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.824 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.0 mt -123.75 144.29 33.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.589 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -135.76 124.21 23.46 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.6 mt -79.17 175.15 10.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.829 0.347 . . . . 0.0 110.708 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 67.5 p -100.93 121.49 41.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.644 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -52.96 -29.76 30.79 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.629 0.58 . . . . 0.0 111.303 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.54 103.01 2.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.52 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 84.09 -55.21 5.0 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.66 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 88' ' ' THR . 15.2 mt 61.11 37.95 17.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.472 0.654 . . . . 0.0 110.587 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -120.51 145.99 46.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.543 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.6 -169.65 51.07 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.883 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -124.58 -12.36 7.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.729 0.3 . . . . 0.0 110.725 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.78 152.52 39.01 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.34 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -82.46 158.62 23.17 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.236 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 178.69 177.73 47.52 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 m 62.68 -163.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.753 ' HB2' ' HD2' ' A' ' 102' ' ' TYR . 46.1 mt-10 -116.61 -22.13 8.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.368 -0.207 . . . . 0.0 110.916 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.1 m 60.87 34.4 19.63 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.55 0.69 . . . . 0.0 110.402 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.753 ' HD2' ' HB2' ' A' ' 100' ' ' GLU . 46.3 p90 -79.53 -16.37 56.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.824 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.17 -156.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.73 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -64.55 159.85 20.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.663 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -68.78 134.87 90.11 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -87.35 -153.81 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 123.45 2.767 . . . . 0.0 113.204 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -89.97 145.1 25.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.305 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD12 HD12 ' A' ' 84' ' ' LEU . 1.8 mm? -102.77 127.8 49.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.09 0.472 . . . . 0.0 110.77 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.824 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -127.91 139.72 51.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 24' ' ' ILE . 10.6 p -105.21 142.08 19.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.906 0.384 . . . . 0.0 111.111 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.431 ' OD1' ' HD2' ' A' ' 112' ' ' PRO . 61.5 t30 -75.77 126.28 87.35 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.431 ' HD2' ' OD1' ' A' ' 111' ' ' ASN . 12.7 Cg_endo -56.79 -16.64 20.49 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.982 2.455 . . . . 0.0 112.371 179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -87.74 61.67 6.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.057 0.456 . . . . 0.0 110.368 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.99 142.59 30.38 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.912 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -73.37 -168.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.544 0.211 . . . . 0.0 111.3 -179.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.746 HD13 HD23 ' A' ' 115' ' ' LEU . 4.2 mp 65.97 179.97 0.2 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.213 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.03 -55.59 2.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.055 0.455 . . . . 0.0 110.129 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--O 1.245 0.839 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.411 179.742 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.869 0 CA-C-O 120.51 0.195 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 59.1 68.53 0.8 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.309 0.576 . . . . 0.0 110.583 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.457 HD23 ' HB3' ' B' ' 387' ' ' GLN . 3.1 mp -96.17 18.38 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.933 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.55 124.07 25.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.032 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 102.25 -0.74 50.55 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.11 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' ' 68' ' ' ARG . 9.5 p -132.96 143.37 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.011 0.405 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 69.4 m -72.76 103.76 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.577 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.457 ' HB3' HD23 ' B' ' 382' ' ' LEU . 1.9 pm0 -64.47 -19.05 65.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 0.2 OUTLIER -57.74 -51.5 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.419 178.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 46' ' ' VAL . 53.8 mt -85.0 -17.83 36.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.47 0.652 . . . . 0.0 110.583 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.926 HD12 ' HD2' ' A' ' 67' ' ' LYS . 2.1 tp -86.31 -5.96 59.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.152 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' B' ' 388' ' ' ASP . 13.4 pt-20 -54.86 -29.98 56.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.375 0.607 . . . . 0.0 110.592 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.479 ' HE ' ' HE2' ' A' ' 51' ' ' LYS . 1.9 tpp180 -63.61 -41.36 98.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.074 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' B' ' 396' ' ' LYS . 9.8 mt -66.92 -26.73 37.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 114.726 -1.124 . . . . 0.0 110.938 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.38 -37.9 87.53 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.28 -32.81 29.37 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.168 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 39.7 tttp -60.46 -30.55 69.74 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.661 179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -56.12 -42.01 76.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.155 0.502 . . . . 0.0 110.109 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' B' ' 402' ' ' LEU . . . -66.44 -38.37 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.335 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.47 -41.5 98.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.458 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -69.32 -36.28 76.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.351 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -71.78 -22.26 61.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 398' ' ' ALA . 33.8 mt -64.84 -14.52 59.66 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -64.84 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.149 0.5 . . . . 0.0 110.268 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -128.5 93.65 3.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.987 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 68.6 mtt -87.71 -57.88 2.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.157 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 17.1 m -153.75 135.56 14.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.144 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -89.93 99.81 12.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.95 0.405 . . . . 0.0 110.002 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.851 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.9 -19.56 10.88 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.374 2.049 . . . . 0.0 112.401 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -127.47 155.73 43.25 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.948 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 56.79 73.14 0.47 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.74 0.65 . . . . 0.0 111.347 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.9 m -124.07 163.09 22.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 117' ' ' GLU . 0.3 OUTLIER 66.72 25.51 9.74 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.752 179.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -146.13 -45.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.878 0.371 . . . . 0.0 110.633 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -84.32 -62.74 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.22 135.6 5.44 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.742 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 19.1 p90 -159.89 39.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -56.99 -39.33 74.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.461 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 1.3 pm0 -74.71 -32.28 62.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.122 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 30.9 m-85 -67.17 -40.23 86.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.019 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -59.49 -40.27 86.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.672 179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.76 -51.02 68.74 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.84 -47.91 91.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -60.79 -41.72 96.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.037 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -64.15 -37.01 85.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 109.851 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -57.79 -40.78 80.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.696 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.519 HD13 ' HA ' ' A' ' 24' ' ' ILE . 2.5 mm -60.59 -52.43 61.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.484 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.66 -35.88 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 11.4 mt -59.08 -48.54 81.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.9 0.381 . . . . 0.0 111.073 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' O ' HG23 ' A' ' 31' ' ' VAL . 24.1 t-80 -70.14 -42.9 71.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 HG13 ' A' ' 110' ' ' VAL . 59.7 tp -60.01 -49.78 76.33 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 13.6 ptm180 -57.66 -32.26 67.14 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.119 0.485 . . . . 0.0 111.172 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 3.0 mmmp? -73.15 -47.3 45.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.025 178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 27' ' ' HIS . 76.1 t -59.41 -46.77 92.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.854 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 12.8 pt-20 -64.98 -27.96 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.681 0.276 . . . . 0.0 111.073 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -71.87 -46.3 58.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.603 0.24 . . . . 0.0 111.389 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.627 ' HG3' ' H ' ' A' ' 35' ' ' GLU . 2.2 pt-20 -89.41 -69.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.627 ' H ' ' HG3' ' A' ' 34' ' ' GLU . 38.8 mt-10 -63.78 -31.45 72.63 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.655 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 12.9 t70 71.69 -27.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.89 -11.39 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.159 -0.338 . . . . 0.0 111.873 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' HA ' HG12 ' A' ' 31' ' ' VAL . 67.1 m 61.05 17.15 7.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.11 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -84.0 136.89 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.679 0.276 . . . . 0.0 110.293 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.74 175.68 10.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.935 -179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.505 ' HE3' ' HB2' ' A' ' 44' ' ' GLU . 28.8 mtmt -107.64 150.76 26.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.915 0.388 . . . . 0.0 110.64 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.465 ' NH2' ' HA ' ' A' ' 75' ' ' HIS . 46.3 mtp180 -73.25 -59.17 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.183 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 m -68.24 -28.89 67.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.484 0.179 . . . . 0.0 111.484 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 37.9 tt0 -66.11 -39.16 89.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.564 0.221 . . . . 0.0 110.508 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.02 -52.82 59.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.779 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.2 p -72.71 -35.51 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.575 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -52.28 -56.52 14.2 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.509 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 37.0 p-90 -71.14 -28.19 64.1 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' O ' HG12 ' A' ' 53' ' ' ILE . 32.8 t80 -57.0 -46.03 82.57 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.779 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 2.8 mt -71.34 -44.11 65.72 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.834 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 20.6 mmtt -54.07 -29.7 45.28 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -84.66 -44.91 13.0 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.656 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.9 pt -91.35 -11.44 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -177.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.7 pt-20 -67.26 -14.67 63.13 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.753 -0.592 . . . . 0.0 111.787 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.71 -23.73 24.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.038 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 53' ' ' ILE . 4.8 pt-20 -96.58 -20.72 18.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.361 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 63' ' ' LEU . 9.2 mm -63.85 112.14 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.737 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' HA ' ' NZ ' ' B' ' 400' ' ' LYS . 37.5 t70 -93.32 -17.73 23.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.202 -179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -122.63 129.7 52.17 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.687 ' O ' HG12 ' A' ' 64' ' ' ILE . 6.2 tt0 -53.36 -38.73 63.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.304 179.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.95 -34.17 74.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.842 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -59.59 -49.22 78.6 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 57' ' ' ILE . 7.9 tp -61.18 -46.15 91.67 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.255 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.687 HG12 ' O ' ' A' ' 60' ' ' GLU . 6.6 mm -57.06 -52.48 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.004 0.43 . . . . 0.0 109.849 178.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -58.63 -50.03 75.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 70' ' ' ILE . 17.7 mmtp -56.85 -45.63 82.3 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.597 0.237 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.693 ' HA ' HG22 ' A' ' 70' ' ' ILE . 8.3 mtpm? -65.42 -44.76 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.521 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 68' ' ' ARG . 35.6 ttt180 -54.46 -36.86 64.54 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 56.5 mt -83.39 -50.81 15.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.6 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.693 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.7 tp -58.88 -40.85 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.518 ' HG2' HG21 ' A' ' 46' ' ' VAL . 24.0 mt-10 -75.45 -31.68 60.39 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.772 -0.58 . . . . 0.0 110.404 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -68.82 -44.67 73.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.005 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 33.0 m -65.3 -33.46 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 C-N-CA 121.176 -0.21 . . . . 0.0 111.053 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.57 -35.93 74.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HA ' ' NH2' ' A' ' 42' ' ' ARG . 4.5 t60 -71.44 -35.09 70.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.56 ' HG3' ' HB2' ' A' ' 80' ' ' TYR . 16.9 ttm180 -68.21 -42.29 80.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.871 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.686 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -54.94 -38.16 67.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.768 -179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.33 -12.76 60.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -124.38 -74.6 0.61 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.411 -0.516 . . . . 0.0 112.099 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.56 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 89.5 m-85 -55.89 -54.51 43.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.298 -178.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.686 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.3 m-20 -70.13 -54.16 14.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.753 -0.203 . . . . 0.0 111.058 -179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 64.78 24.06 12.78 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.66 0.6 . . . . 0.0 111.218 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 81' ' ' ASP . 19.8 m -91.29 11.37 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.139 0.495 . . . . 0.0 110.595 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD13 HD21 ' A' ' 77' ' ' LEU . 5.5 tp -97.33 127.52 43.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.378 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.914 ' HB ' HG13 ' A' ' 109' ' ' VAL . 9.3 mt -94.0 127.8 45.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.319 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -124.92 141.18 52.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.4 mt -120.05 -168.92 1.7 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.389 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.645 HG21 ' H ' ' A' ' 99' ' ' SER . 11.1 p -95.41 -163.29 1.03 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.171 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.86 4.65 7.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.842 0.353 . . . . 0.0 110.48 179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.01 115.43 30.05 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.935 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.34 -60.75 3.94 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.183 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.465 HD21 ' O ' ' A' ' 88' ' ' THR . 9.9 mt 55.33 62.9 2.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.447 0.641 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -136.15 -41.89 0.65 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -121.24 140.54 14.08 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.07 -11.31 41.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.935 0.398 . . . . 0.0 110.563 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.523 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.17 -23.08 63.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.179 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' HG2' HG23 ' A' ' 96' ' ' THR . 40.3 mm-40 -116.3 169.95 8.91 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.6 133.7 2.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.767 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.645 ' H ' HG21 ' A' ' 88' ' ' THR . 8.5 t -91.02 -132.3 0.11 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.676 0.274 . . . . 0.0 110.491 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 101' ' ' SER . 1.7 mm-40 -90.95 -89.98 0.16 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 100' ' ' GLU . 1.5 m 53.34 44.47 30.04 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.253 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -107.55 -14.94 14.72 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.995 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -72.29 -44.58 62.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -142.45 171.85 13.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.733 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -89.8 123.89 65.2 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.34 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -81.27 -84.26 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.804 2.336 . . . . 0.0 111.522 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -120.98 116.63 25.44 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 85.4 mt -110.2 132.93 53.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.723 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.914 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.68 138.54 53.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.489 HG13 HD22 ' A' ' 28' ' ' LEU . 8.1 p -109.01 141.87 23.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.959 0.409 . . . . 0.0 110.596 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.2 m-20 -84.22 139.12 39.11 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.284 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 16.5 Cg_exo -68.26 0.99 3.88 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.258 2.639 . . . . 0.0 113.169 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -85.99 20.59 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.489 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -63.22 124.75 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.542 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -107.27 169.47 8.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.736 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.0 mt -93.58 -155.03 0.43 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . 7.9 mm-40 -73.92 -15.51 61.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.2 0.524 . . . . 0.0 110.463 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.247 0.952 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.09 179.736 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 120.912 0.387 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -147.41 172.04 14.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.62 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 95.2 mt -76.71 166.09 23.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.597 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -150.89 -173.27 4.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.246 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -82.86 -161.05 29.77 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.842 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 40.6 t -67.49 104.04 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.538 0.209 . . . . 0.0 110.666 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.485 ' HA ' ' OE1' ' A' ' 71' ' ' GLU . 3.1 m -161.95 -44.85 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.459 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.664 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.4 -40.52 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.354 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 18.4 mt -73.55 -28.21 61.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.676 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.555 ' O ' ' HB ' ' B' ' 393' ' ' ILE . 17.3 tp -78.82 -14.47 59.24 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 3.4 tt0 -66.73 -23.08 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -67.83 -21.59 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.451 0.643 . . . . 0.0 109.647 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.578 ' HA ' ' HG2' ' B' ' 396' ' ' LYS . 1.6 mp -65.4 -42.36 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.956 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 2.1 ptm180 -71.15 -17.94 62.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.956 0.408 . . . . 0.0 110.439 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -86.24 -37.33 18.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.337 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -82.07 -3.4 54.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.606 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -54.54 -50.58 67.55 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -58.12 -34.84 70.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.859 0.361 . . . . 0.0 111.357 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -64.18 -41.69 96.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.538 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.524 ' HA ' ' HD2' ' B' ' 400' ' ' LYS . 13.7 mmmt -67.23 -10.1 47.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.154 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -78.39 -32.25 48.74 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.28 -34.44 10.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.334 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -79.75 102.27 8.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.24 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.07 167.14 20.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.866 -179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 28.2 ttt -87.2 -23.44 24.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.371 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 89.1 m -152.76 124.28 7.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.108 0.48 . . . . 0.0 110.798 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' B' ' 407' ' ' ARG . 0.0 OUTLIER -119.34 -11.15 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.567 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.626 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.494 0.187 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.16 133.28 37.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.813 2.342 . . . . 0.0 111.96 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -97.75 -24.38 15.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.549 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.45 117.57 16.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.618 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.4 t -77.03 -86.66 0.05 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.915 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD22 ' HB2' ' A' ' 117' ' ' GLU . 35.3 mt -85.17 -28.72 25.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 110.454 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 tpp85 -169.33 168.15 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.16 -31.06 69.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.821 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.83 86.41 0.18 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.327 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.632 ' HE2' ' H ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -109.21 34.3 3.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.848 0.356 . . . . 0.0 111.422 -179.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 p -54.16 -41.55 68.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.531 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -71.04 -41.73 70.42 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.465 ' HB3' ' HB2' ' A' ' 14' ' ' PHE . 24.4 t80 -58.49 -41.34 85.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.031 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.1 m -61.68 -36.84 82.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -64.05 -47.13 81.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.314 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.23 -48.28 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.5 m -58.38 -44.77 89.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.705 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.67 -42.38 99.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.022 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -58.24 -42.06 85.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.865 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.539 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -61.94 -47.19 94.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 120.84 0.352 . . . . 0.0 110.767 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.23 -49.51 71.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.197 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.7 mt -60.05 -46.67 88.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.469 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -59.85 -48.72 80.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.707 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.2 tm? -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -56.37 -44.65 80.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.07 0.462 . . . . 0.0 110.603 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' A' ' 30' ' ' LYS . 9.5 mmmm -69.76 -41.01 75.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 40' ' ' LEU . 41.1 t -63.66 -45.91 96.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -70.17 -28.33 65.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.774 0.321 . . . . 0.0 111.308 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -85.55 -39.54 17.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -88.75 -61.43 1.71 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.848 0.685 . . . . 0.0 112.848 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -80.68 -29.26 36.59 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 70.06 16.82 7.46 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 110.31 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -134.39 95.12 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.589 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.664 ' HB3' HD21 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -74.08 13.15 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -178.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 99.01 8.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.82 0.343 . . . . 0.0 110.45 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD12 HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -131.04 -173.91 3.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.0 0.429 . . . . 0.0 111.717 -179.068 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -92.16 129.82 38.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.481 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.75 -40.72 98.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.936 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.6 m -66.61 -28.65 68.67 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.998 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -72.78 -34.98 67.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -59.96 -45.41 92.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.692 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 26.1 t -70.93 -35.89 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.328 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -55.59 -58.0 9.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.44 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.402 ' CH2' HD23 ' A' ' 23' ' ' LEU . 29.5 p-90 -69.77 -28.87 66.12 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.663 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.508 ' CD1' ' HG ' ' A' ' 23' ' ' LEU . 18.5 t80 -58.45 -49.04 78.75 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 120.898 0.38 . . . . 0.0 110.219 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 13.2 mt -64.17 -41.44 97.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.718 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 22.8 mmtt -61.05 -38.7 87.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.849 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -74.16 -35.65 64.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.862 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 57' ' ' ILE . 39.3 pt -88.79 -8.9 10.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -55.62 -30.0 60.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.782 0.325 . . . . 0.0 111.777 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -23.59 44.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.112 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 11.6 pt-20 -91.81 -20.11 21.84 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 0.0 110.258 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.682 HG12 ' O ' ' A' ' 53' ' ' ILE . 44.3 mm -67.29 109.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.604 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -102.3 -15.5 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.901 0.857 . . . . 0.0 109.097 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.568 ' HB3' ' HG3' ' A' ' 62' ' ' GLU . 22.8 t -137.23 135.51 37.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.756 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.559 ' OE1' ' HA ' ' B' ' 397' ' ' GLU . 0.2 OUTLIER -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.753 0.311 . . . . 0.0 110.295 -179.6 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -55.85 -33.64 64.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.674 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.568 ' HG3' ' HB3' ' A' ' 59' ' ' SER . 31.1 mt-10 -69.63 -49.0 57.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.132 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' ' 57' ' ' ILE . 20.1 tp -64.03 -45.38 89.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.81 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.675 ' HA ' HD21 ' B' ' 390' ' ' LEU . 40.3 mt -63.88 -34.16 66.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.746 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.411 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.7 OUTLIER -68.76 -47.83 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.878 178.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -57.42 -43.6 83.94 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.304 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 50' ' ' LEU . 14.4 mmtt -60.54 -47.5 85.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.099 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.688 ' HG2' ' HA3' ' B' ' 384' ' ' GLY . 30.7 mtp180 -61.0 -34.88 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.465 -179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.3 mt -80.95 -49.41 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.671 HG21 HG13 ' A' ' 46' ' ' VAL . 9.9 tp -58.33 -41.63 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.618 ' HG2' ' HB2' ' B' ' 386' ' ' SER . 43.4 tp10 -74.98 -32.51 61.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.123 0.487 . . . . 0.0 109.913 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 33.2 ttmt -66.73 -47.57 71.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.209 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.72 -37.06 78.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.144 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 78' ' ' THR . 91.6 mt -66.68 -45.94 87.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -62.68 -39.48 94.08 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.098 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.662 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 19.0 ttt180 -67.36 -43.3 81.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.589 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 6.2 tp -57.88 -50.88 71.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.513 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.536 ' HA ' ' HG ' ' A' ' 84' ' ' LEU . 9.0 t -80.62 3.93 20.32 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.01 -53.4 0.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.3 -0.875 . . . . 0.0 112.57 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.662 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.9 m-85 -91.16 -46.54 8.03 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.589 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 t0 -58.98 -57.12 14.47 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.0 m80 70.57 18.35 6.49 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.89 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.3 p -97.08 5.8 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.931 0.872 . . . . 0.0 109.735 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.536 ' HG ' ' HA ' ' A' ' 78' ' ' THR . 0.0 OUTLIER -96.99 170.24 9.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.395 179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.85 ' HB ' HG13 ' A' ' 109' ' ' VAL . 2.4 mp -122.9 131.2 73.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.594 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.76 139.91 28.15 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 99.7 mt -136.86 170.38 16.19 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 -179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.7 p 44.02 83.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.568 1.168 . . . . 0.0 113.004 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.594 ' HA ' ' CD1' ' A' ' 92' ' ' LEU . 27.8 pt20 -57.45 -21.21 35.5 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.081 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.07 94.97 1.97 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.1 -2.38 24.06 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.744 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.594 ' CD1' ' HA ' ' A' ' 89' ' ' GLN . 42.7 mt -68.86 -56.16 8.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -78.99 -44.9 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 0.0 110.173 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.49 -148.03 17.72 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.225 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.1 m -150.98 -36.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.863 0.364 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -122.45 -38.51 2.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 0.0 111.182 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -76.3 114.74 15.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.759 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 138.69 76.48 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.4 m 59.44 -128.07 1.2 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.666 0.274 . . . . 0.0 110.77 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -117.53 157.53 26.16 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.321 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -140.68 47.79 1.74 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.32 0.581 . . . . 0.0 110.105 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -78.32 -31.2 48.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.175 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -89.75 161.6 15.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.484 -179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -79.94 137.81 36.96 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -110.39 146.21 33.8 Favored Pre-proline 0 C--N 1.312 -1.029 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.422 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -70.65 -34.84 10.97 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.338 2.025 . . . . 0.0 111.749 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 63.04 -89.44 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.739 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 108' ' ' LEU . 1.2 mm? -129.21 119.94 24.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.246 0.546 . . . . 0.0 111.565 -179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.85 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -138.54 139.21 41.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.128 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.583 HG13 ' HG ' ' A' ' 28' ' ' LEU . 12.1 p -118.24 148.21 21.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 120.973 0.416 . . . . 0.0 110.646 -179.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.7 m-20 -87.64 146.86 40.21 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.738 179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 34.4 Cg_exo -59.72 -16.47 37.37 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.835 2.357 . . . . 0.0 112.927 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -85.79 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -63.7 135.13 56.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.237 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -115.24 171.23 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.129 -179.58 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.444 ' HB3' ' H ' ' A' ' 117' ' ' GLU . 6.0 mp -96.41 -153.15 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.025 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.734 ' HB2' HD22 ' A' ' 10' ' ' LEU . 39.9 mt-10 -71.75 -22.0 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.922 0.392 . . . . 0.0 111.002 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.016 -179.802 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.786 0.327 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -78.97 159.0 27.86 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' B' ' 383' ' ' LYS . 2.3 mp 62.32 -158.36 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.523 0.515 . . . . 0.0 110.405 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 382' ' ' LEU . 7.6 mtpt 70.1 91.3 0.09 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.22 0.533 . . . . 0.0 111.035 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . 0.688 ' HA3' ' HG2' ' A' ' 68' ' ' ARG . . . -160.62 179.96 35.78 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 37.0 t -83.48 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.618 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . 23.1 m 57.71 61.59 2.38 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.665 0.603 . . . . 0.0 111.522 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -61.82 -21.05 64.29 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.303 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.93 -12.82 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.355 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' B' ' 386' ' ' SER . 3.8 mp -82.98 -16.03 48.86 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -88.2 -2.54 58.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.384 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.82 -29.01 25.28 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.15 0.5 . . . . 0.0 110.74 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -81.56 -32.97 31.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.042 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.557 HG13 HD23 ' B' ' 390' ' ' LEU . 14.7 mm -65.8 -45.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.871 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.28 -28.38 69.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.038 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -81.16 -27.79 35.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.64 0.733 . . . . 0.0 109.666 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.12 -20.1 49.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.559 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 5.1 tt0 -49.29 -59.91 3.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.805 -179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.04 74.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.981 0.42 . . . . 0.0 110.826 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -68.06 -22.22 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.35 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -21.22 66.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.18 0.514 . . . . 0.0 110.284 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -82.2 -4.65 57.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.213 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -105.41 19.85 19.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.902 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -88.32 -154.24 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.396 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -102.06 47.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.361 0.6 . . . . 0.0 110.515 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 17.3 tpt -82.03 -43.85 17.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.577 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 10.2 t -143.16 156.52 44.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.037 0.446 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.43 18.32 2.74 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.438 -0.791 . . . . 0.0 109.601 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.07 -43.2 31.19 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.588 2.192 . . . . 0.0 112.223 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -81.37 147.49 29.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.019 0.438 . . . . 0.0 110.748 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.99 -19.64 4.76 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.972 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 m -104.94 136.24 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.54 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -7.79 5.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -91.7 147.07 23.26 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.427 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER 61.89 80.5 0.22 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.741 0.651 . . . . 0.0 110.704 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 146.14 -12.49 1.64 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.344 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 32.8 m-85 -113.9 32.19 6.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.962 0.41 . . . . 0.0 110.345 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -49.25 78.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.785 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -71.63 -37.97 70.82 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.595 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' PHE . 93.2 m-85 -60.33 -35.8 76.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.41 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -67.1 -27.68 67.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.034 0.445 . . . . 0.0 111.183 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -79.04 -46.35 18.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.283 0.563 . . . . 0.0 109.924 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.13 -46.05 97.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.674 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 74.2 p -58.06 -39.55 78.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.047 0.451 . . . . 0.0 110.341 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 25' ' ' VAL . 6.4 t-20 -66.0 -42.29 89.94 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.632 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -59.29 -39.5 83.19 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.503 ' N ' HD13 ' A' ' 23' ' ' LEU . 2.5 mm -66.68 -52.01 50.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 22' ' ' ASN . 10.9 p -67.95 -39.4 81.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.613 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 23.7 mt -64.64 -51.77 60.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.458 ' O ' HG23 ' A' ' 31' ' ' VAL . 42.3 t-80 -59.76 -48.37 81.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.906 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.49 -42.83 91.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.049 -0.26 . . . . 0.0 111.652 -179.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 11.7 ptm180 -61.35 -35.75 78.29 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.352 -179.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 33.4 mmtp -70.7 -40.94 72.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.313 0.578 . . . . 0.0 109.666 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' HIS . 59.2 t -62.84 -50.99 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.072 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -65.76 -28.66 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.378 . . . . 0.0 111.473 -179.658 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -72.47 -33.15 66.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.72 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.31 -60.75 1.49 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 36' ' ' ASP . 31.3 mt-10 -91.24 -20.51 21.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 29.7 t70 74.24 -58.29 0.59 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.354 0.662 . . . . 0.0 110.422 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -88.01 -122.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.856 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 m 54.36 57.63 5.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.471 0.482 . . . . 0.0 111.202 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . . . -51.49 -42.1 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.083 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.783 ' HG ' ' H ' ' A' ' 41' ' ' LYS . 13.9 tp 70.11 -164.74 0.16 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 123.656 0.597 . . . . 0.0 110.386 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.783 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 28.9 mtpp -118.7 151.25 38.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 42' ' ' ARG . 18.0 mtm180 -61.1 -44.88 96.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 0.3 OUTLIER -62.33 -30.24 71.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.47 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.9 -37.81 72.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.012 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.55 -48.54 81.31 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.777 0.322 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.605 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -72.93 -30.63 32.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 0.0 110.083 179.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 43' ' ' SER . 56.3 t30 -52.91 -58.32 7.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.858 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 42.5 p-90 -68.89 -33.12 73.25 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.499 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' O ' HG12 ' A' ' 53' ' ' ILE . 16.8 t80 -55.19 -45.7 75.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.403 0.621 . . . . 0.0 110.023 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.794 HD13 ' HE3' ' A' ' 67' ' ' LYS . 10.0 mt -73.43 -50.68 20.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.546 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -54.56 -25.15 24.31 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 37.2 mm-40 -81.04 -41.28 22.89 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 49' ' ' TYR . 42.7 pt -102.21 -3.34 9.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.783 ' HA ' HG12 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -74.74 -26.52 59.85 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.465 -178.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -20.48 65.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -106.35 3.87 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.584 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.783 HG12 ' HA ' ' A' ' 54' ' ' GLU . 21.4 mm -67.89 112.21 2.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.335 0.588 . . . . 0.0 109.817 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -89.17 -18.68 26.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.759 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.576 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 7.7 t -137.59 129.17 28.33 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.35 -36.55 43.53 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.942 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.01 -34.59 72.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.69 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' HG2' ' HB3' ' A' ' 59' ' ' SER . 9.5 mm-40 -67.72 -42.5 81.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.18 0.514 . . . . 0.0 110.006 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.685 HD13 HG13 ' A' ' 57' ' ' ILE . 17.5 tp -67.22 -37.24 83.28 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.376 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.751 HG12 HD11 ' B' ' 390' ' ' LEU . 39.4 mt -69.72 -38.1 75.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.368 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.7 t30 -60.52 -50.57 73.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.37 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.541 ' O ' HG22 ' A' ' 70' ' ' ILE . 56.5 mmtt -54.87 -46.25 74.71 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.466 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.794 ' HE3' HD13 ' A' ' 50' ' ' LEU . 14.0 mttp -63.12 -42.12 99.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 40.8 ttp-105 -62.35 -29.53 70.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.582 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.447 HG12 ' O ' ' A' ' 65' ' ' ASN . 43.2 mm -86.55 -51.48 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 66' ' ' LYS . 8.9 tp -63.51 -41.32 92.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.743 -178.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.1 -34.17 74.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 22.0 ttmm -63.52 -51.63 64.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 32.7 m -64.62 -35.16 73.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.861 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.3 mt -68.36 -37.97 78.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.998 0.427 . . . . 0.0 109.955 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -70.33 -32.88 70.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.34 0.59 . . . . 0.0 109.776 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.823 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 9.3 ttt180 -74.63 -43.01 57.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.028 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.65 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 17.4 tp -56.91 -39.2 73.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.048 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.458 ' HA ' HD22 ' A' ' 84' ' ' LEU . 6.7 p -78.99 -25.63 43.36 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.41 -70.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.823 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.1 m-85 -56.97 -47.0 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 5.1 m-20 -81.08 -61.14 2.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.764 0.316 . . . . 0.0 111.195 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 63.37 33.94 13.44 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.636 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -95.75 3.56 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.254 0.55 . . . . 0.0 110.556 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.458 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.8 pt? -91.39 151.55 20.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.42 0.629 . . . . 0.0 111.707 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.79 ' HB ' HG13 ' A' ' 109' ' ' VAL . 4.7 mp -100.35 146.89 8.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 114.691 -1.141 . . . . 0.0 108.593 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 87' ' ' LEU . 1.4 pt-20 -131.69 97.57 4.24 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.546 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.579 ' HB3' ' O ' ' A' ' 86' ' ' GLU . 1.7 pp 155.63 146.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.568 1.167 . . . . 0.0 110.814 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.44 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER -141.11 119.35 12.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.196 178.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 89' ' ' GLN . 0.4 OUTLIER -71.92 58.31 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.096 0.474 . . . . 0.0 112.159 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.83 10.11 0.47 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.735 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.6 27.42 0.1 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.339 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 88' ' ' THR . 27.6 mt -110.65 -10.21 14.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.45 0.167 . . . . 0.0 111.15 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -86.51 -52.45 5.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.83 0.348 . . . . 0.0 111.55 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 121.46 74.11 0.34 Allowed Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.62 158.78 19.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.622 0.249 . . . . 0.0 110.573 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 p -75.98 -39.79 55.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.002 0.429 . . . . 0.0 110.737 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.94 123.98 33.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.378 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.39 -153.17 25.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.062 -0.589 . . . . 0.0 111.823 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.75 120.02 41.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.834 0.349 . . . . 0.0 110.183 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -112.32 155.26 24.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 t -152.74 53.02 0.77 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -98.26 -24.17 15.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.897 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -76.25 -49.82 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.429 0.633 . . . . 0.0 110.104 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -95.63 -168.72 1.82 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.443 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.09 156.58 90.6 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.325 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.441 ' HG2' ' HB2' ' A' ' 86' ' ' GLU . 38.1 Cg_endo -66.93 -173.55 0.4 Allowed 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.583 2.189 . . . . 0.0 112.051 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.491 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 55.6 m-85 -85.7 142.41 29.04 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.527 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 86' ' ' GLU . 2.1 mm? -98.65 123.29 42.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.844 -178.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.79 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.5 OUTLIER -128.61 138.82 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.713 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.44 148.11 23.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.727 0.298 . . . . 0.0 110.2 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -83.53 142.32 42.91 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.521 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.55 -0.49 5.23 Favored 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 122.878 2.386 . . . . 0.0 111.849 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -82.42 -4.55 57.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.832 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -57.55 121.87 11.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.715 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.86 -165.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.13 -179.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 83.2 mt -97.46 -61.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.674 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.412 ' CD ' HH22 ' A' ' 76' ' ' ARG . 5.0 tp10 -163.32 -39.28 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.214 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 C--O 1.249 1.04 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.059 179.723 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.242 0.068 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . 69.21 -70.83 0.13 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.253 0.621 . . . . 0.0 112.275 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 40.6 mt -73.17 113.67 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.9 0.381 . . . . 0.0 111.268 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -137.99 4.69 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.448 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 91.48 20.38 38.09 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.09 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.544 ' HB ' ' HG3' ' B' ' 387' ' ' GLN . 3.1 t -101.61 162.98 3.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 39.3 m -54.34 -31.09 53.54 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.854 0.359 . . . . 0.0 111.728 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.544 ' HG3' ' HB ' ' B' ' 385' ' ' VAL . 0.5 OUTLIER -68.26 -18.75 64.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.881 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 385' ' ' VAL . 0.6 OUTLIER -53.17 -53.55 48.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.093 0.473 . . . . 0.0 111.6 -179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.12 -33.72 74.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.314 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 64' ' ' ILE . 11.1 tp -85.08 -16.09 41.8 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.63 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -70.39 -26.59 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 392' ' ' ARG . 0.6 OUTLIER -61.94 -26.78 68.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.093 178.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.576 ' O ' ' HG2' ' B' ' 396' ' ' LYS . 1.7 mp -62.4 -30.7 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.556 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 67.8 mtp180 -64.84 -24.53 67.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.184 0.516 . . . . 0.0 110.342 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -98.04 -16.51 19.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.451 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -81.63 -9.02 59.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.015 179.405 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.86 -46.07 67.71 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.354 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . 0.461 ' HA ' ' HG2' ' B' ' 401' ' ' GLN . . . -64.8 -37.47 87.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.893 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -62.48 -40.08 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -72.68 -40.39 66.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.63 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . 0.461 ' HG2' ' HA ' ' B' ' 398' ' ' ALA . 19.0 pt20 -72.71 -22.52 60.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 0.0 110.618 -179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 2.2 tp -103.95 22.09 15.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.129 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' B' ' 404' ' ' GLN . . . -102.95 -176.11 3.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.163 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' B' ' 403' ' ' ALA . 2.1 mp0 68.15 175.66 0.27 Allowed 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.684 0.615 . . . . 0.0 110.704 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 14.6 tpt -72.22 -59.02 2.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.352 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 3.6 m -121.58 -32.43 3.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.937 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 401' ' ' GLN . 22.3 ttt-85 56.42 -103.11 0.17 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.677 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . 0.413 ' H ' ' HB3' ' B' ' 407' ' ' ARG . 9.0 m0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.63 -0.7 . . . . 0.0 109.791 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -75.4 146.72 31.59 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.687 2.258 . . . . 0.0 112.294 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 84.7 mttt 59.44 -153.63 0.38 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -128.34 147.43 50.62 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 m -87.2 169.89 11.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.289 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.76 81.93 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -131.79 -31.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.429 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.4 mt -70.34 -61.13 1.89 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.902 0.382 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.9 -112.04 1.33 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.148 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 57.48 30.38 18.57 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.615 0.366 . . . . 0.0 111.376 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -49.15 78.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.62 -42.3 78.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.978 0.418 . . . . 0.0 110.038 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -59.4 -42.4 91.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.037 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.3 t -60.57 -43.69 97.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -61.51 -46.73 88.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG23 HD12 ' A' ' 70' ' ' ILE . 1.7 mp -65.41 -46.76 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.053 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.7 t -58.14 -37.45 74.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.025 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -61.32 -42.6 98.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.587 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -59.77 -38.73 82.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.475 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.642 HG21 ' HE2' ' A' ' 114' ' ' TYR . 7.3 mm -66.98 -52.98 38.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.477 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -67.38 -36.11 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.748 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 8.2 mt -67.47 -51.84 46.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.641 0.258 . . . . 0.0 111.444 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -68.36 -39.4 81.82 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.774 -0.37 . . . . 0.0 111.056 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -65.28 -45.98 82.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.914 -179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 14.3 ptm180 -63.1 -30.47 71.62 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-O 120.835 0.35 . . . . 0.0 110.243 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 34' ' ' GLU . 17.3 tppt? -73.08 -42.18 63.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 177.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.582 HG21 HD11 ' A' ' 40' ' ' LEU . 14.4 t -59.97 -48.97 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.872 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 10.4 pt-20 -66.7 -28.14 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.749 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -73.67 -34.16 64.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.462 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' LYS . 16.5 mt-10 -87.21 -55.63 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.549 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -114.43 -80.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.2 t0 176.51 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.535 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -109.8 -52.1 2.81 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 110.337 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m 67.76 -43.02 0.46 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.316 -1.311 . . . . 0.0 113.198 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.605 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 61.67 86.01 0.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.501 0.667 . . . . 0.0 110.354 -179.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.582 HD11 HG21 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -94.87 167.82 11.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.492 -178.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -82.01 130.52 35.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.914 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -36.14 78.26 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.468 0.175 . . . . 0.0 111.334 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -33.69 75.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.668 0.271 . . . . 0.0 110.489 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' HE1' ' A' ' 48' ' ' TRP . 88.4 mt -57.16 -50.92 71.33 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.068 0.461 . . . . 0.0 109.897 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 39.8 t -64.19 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.197 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -56.71 -60.31 3.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.471 -0.786 . . . . 0.0 112.157 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 51' ' ' LYS . 36.3 p-90 -66.62 -28.89 68.85 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.045 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD1' HD13 ' A' ' 23' ' ' LEU . 21.9 t80 -59.39 -50.04 75.48 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 14.7 mt -67.56 -38.82 84.68 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.942 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.653 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 3.1 mptp? -59.7 -25.59 64.91 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.783 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -83.19 -41.21 18.7 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.956 0.408 . . . . 0.0 111.524 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' ILE . 8.0 pt -89.57 -16.6 8.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -178.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' OE1' ' HA ' ' A' ' 51' ' ' LYS . 10.5 pt-20 -61.21 -21.68 64.07 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -26.08 61.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.895 0.379 . . . . 0.0 110.349 178.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.61 -21.48 15.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.2 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.74 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.9 mm -74.21 108.37 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.088 0.47 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -110.21 -10.52 14.64 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.412 0.625 . . . . 0.0 109.35 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -118.74 134.8 54.88 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.243 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.769 ' HG2' HD11 ' A' ' 64' ' ' ILE . 3.1 tt0 -58.64 -37.55 76.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.017 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -52.6 -46.4 66.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.661 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' HB2' HG23 ' A' ' 57' ' ' ILE . 68.1 mm-40 -60.05 -46.61 88.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.01 0.433 . . . . 0.0 110.781 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.74 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.2 tp -66.13 -42.18 89.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.971 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.769 HD11 ' HG2' ' A' ' 60' ' ' GLU . 83.0 mt -62.8 -42.41 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.97 0.414 . . . . 0.0 109.981 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.492 ' O ' HG12 ' A' ' 69' ' ' ILE . 2.4 t30 -57.84 -48.78 78.78 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.024 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.564 ' HE3' HD13 ' A' ' 53' ' ' ILE . 7.7 tppt? -63.59 -49.7 72.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.706 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' B' ' 393' ' ' ILE . 13.1 tptp -54.85 -49.17 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.327 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 14.8 ptt180 -65.79 -30.03 70.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 65' ' ' ASN . 38.8 mm -79.52 -51.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.427 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.492 HD12 HG23 ' A' ' 20' ' ' ILE . 7.3 tp -58.18 -42.91 84.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 120.59 0.233 . . . . 0.0 110.936 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.43 -44.16 71.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.708 0.29 . . . . 0.0 110.567 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 37.0 ttpt -59.91 -43.64 94.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 69' ' ' ILE . 79.7 t -60.78 -47.74 91.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.695 0.284 . . . . 0.0 110.255 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.21 -43.68 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.3 -41.9 98.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.703 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.68 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 33.5 ttm180 -62.76 -41.88 99.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.52 0.676 . . . . 0.0 110.205 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -71.9 -24.76 61.7 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.081 -179.234 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.5 p -93.98 4.47 53.86 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -139.82 -55.96 0.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.68 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 42.6 m-85 -71.73 -54.65 9.6 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.55 -56.88 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 111.86 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' A' ' 77' ' ' LEU . 25.2 t-80 67.77 50.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.076 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG22 HD21 ' A' ' 77' ' ' LEU . 2.7 m -91.63 -2.97 10.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -87.78 140.81 29.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.996 178.576 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.834 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.1 mt -93.32 131.86 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -117.85 119.13 33.94 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.4 mt -87.27 -155.8 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.851 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.7 p -111.22 -168.82 1.35 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.73 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.49 -19.25 2.43 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.401 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.44 -46.68 3.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.994 0.426 . . . . 0.0 110.881 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.65 64.46 3.45 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.453 -0.88 . . . . 0.0 111.965 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.8 mt -115.33 -47.94 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.937 0.398 . . . . 0.0 111.221 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -98.73 111.79 24.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.975 0.417 . . . . 0.0 110.675 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.34 -15.93 58.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.919 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.0 m -140.9 160.24 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -111.14 -28.94 8.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.95 0.405 . . . . 0.0 111.336 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -145.93 -171.34 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.162 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 139.19 -108.46 0.6 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.485 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 m -77.78 139.7 39.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.657 0.265 . . . . 0.0 110.981 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 102' ' ' TYR . 45.5 mt-10 -81.29 142.27 33.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.121 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.9 m -118.1 61.73 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.461 0.648 . . . . 0.0 110.216 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.428 ' HD2' ' HB3' ' A' ' 100' ' ' GLU . 39.6 p90 -97.13 -14.74 21.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.956 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -81.72 -12.43 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.62 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -131.63 -167.05 1.8 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.242 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -104.81 107.8 59.37 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.185 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.2 -167.01 0.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.724 2.283 . . . . 0.0 112.063 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.605 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 36.6 m-85 -85.86 125.96 33.7 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.637 HD22 HD21 ' A' ' 84' ' ' LEU . 50.2 mt -103.03 143.13 32.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.333 0.587 . . . . 0.0 111.896 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.834 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -147.91 138.32 17.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.203 178.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.507 ' HB ' HD12 ' A' ' 84' ' ' LEU . 4.6 p -119.69 163.22 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.709 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.525 ' HB2' ' HD2' ' A' ' 112' ' ' PRO . 53.8 p30 -102.47 163.05 18.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.028 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 111' ' ' ASN . 73.5 Cg_endo -79.3 0.87 9.66 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.694 2.263 . . . . 0.0 111.799 178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -74.01 -66.55 0.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.005 179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.642 ' HE2' HG21 ' A' ' 24' ' ' ILE . 0.1 OUTLIER 55.9 -159.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.591 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -137.43 26.48 2.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.212 0.53 . . . . 0.0 110.286 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -120.01 132.7 55.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.189 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.73 -24.13 61.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.868 -0.587 . . . . 0.0 110.521 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.624 0.249 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -83.5 99.21 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.99 0.424 . . . . 0.0 110.807 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 32.6 tp -124.31 -41.04 2.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.374 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -117.88 179.04 4.2 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.267 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -98.96 -166.54 30.39 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.53 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.414 HG21 HD13 ' A' ' 64' ' ' ILE . 6.5 p -80.35 153.04 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 1.2 m -78.41 64.92 3.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -71.84 -36.15 70.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.403 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -71.49 -20.84 62.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 26.1 tp -81.18 -8.59 59.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.304 0.573 . . . . 0.0 110.063 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.957 ' HB3' ' HB ' ' B' ' 393' ' ' ILE . 34.9 mt -84.81 -57.19 3.22 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 44.98 26.77 0.23 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.312 1.007 . . . . 0.0 111.297 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . 0.452 HH12 ' HD2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -164.54 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.341 -1.299 . . . . 0.0 108.678 -179.163 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.957 ' HB ' ' HB3' ' B' ' 390' ' ' LEU . 3.4 mp -65.52 -22.2 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 114.64 -1.163 . . . . 0.0 109.228 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -63.32 -43.73 96.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.443 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.03 -27.9 62.03 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.789 ' HD2' HG23 ' B' ' 393' ' ' ILE . 0.0 OUTLIER -64.01 -30.69 71.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.72 178.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' B' ' 401' ' ' GLN . 39.9 tt0 -54.17 -55.62 26.06 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.283 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -70.65 -33.24 70.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.723 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -57.17 -46.58 82.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 45.4 mmtt -85.16 -18.61 33.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' B' ' 397' ' ' GLU . 0.8 OUTLIER -72.93 -52.59 14.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.54 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.12 -30.77 63.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.933 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 60.73 -95.0 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.621 0.576 . . . . 0.0 112.056 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.08 -160.51 0.29 Allowed 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.836 0.454 . . . . 0.0 110.4 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 14.6 tpt -90.08 -39.47 12.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 110.052 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . 0.658 HG23 ' HD3' ' B' ' 407' ' ' ARG . 12.6 t -81.63 171.43 14.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.748 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.658 ' HD3' HG23 ' B' ' 406' ' ' THR . 8.7 mpt_? 70.68 156.97 0.16 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.281 0.562 . . . . 0.0 111.477 179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 14.6 m-90 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.013 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -67.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.486 2.124 . . . . 0.0 112.094 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 7' ' ' LYS . 52.0 mtpt -124.53 -50.47 1.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.52 156.29 37.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.439 . . . . 0.0 111.632 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.2 m -123.25 135.48 54.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.844 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.585 ' HA ' ' HE1' ' A' ' 14' ' ' PHE . 3.8 mm? 66.44 20.78 10.91 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 122.747 0.419 . . . . 0.0 111.419 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' ARG . 2.0 tpp180 -146.07 112.05 5.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.707 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.1 tp -175.66 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.43 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.82 35.95 0.5 Allowed Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.342 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' HE1' ' HA ' ' A' ' 10' ' ' LEU . 3.7 p90 -158.43 42.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.413 0.149 . . . . 0.0 111.35 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 m -60.74 -26.28 67.08 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.828 0.346 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -56.68 -52.22 65.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.034 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -58.26 -44.87 88.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.866 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -38.72 92.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.217 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -64.91 -47.72 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.07 -44.54 98.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.34 0.59 . . . . 0.0 109.812 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.1 m -60.5 -38.43 84.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.083 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.06 -33.14 71.56 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -61.12 -37.82 84.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.516 178.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -64.35 -44.78 97.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.812 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -77.52 -44.2 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 123.337 0.398 . . . . 0.0 111.446 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.85 -46.73 89.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.5 ' O ' HG23 ' A' ' 31' ' ' VAL . 70.2 t60 -62.97 -36.72 84.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 112' ' ' PRO . 1.2 tm? -64.2 -41.16 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.95 -41.74 88.18 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.244 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -70.33 -33.91 72.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 27' ' ' HIS . 45.5 t -64.95 -42.21 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 5.0 pt-20 -78.7 -29.12 45.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.88 0.372 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -77.25 -42.38 37.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.569 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -94.52 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -67.59 -20.1 65.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.341 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 35.2 t70 68.41 20.16 8.66 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.772 0.796 . . . . 0.0 110.153 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -116.86 -141.2 0.37 Allowed 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.46 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 109' ' ' VAL . 1.5 p -179.57 -26.75 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.029 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' A' ' 108' ' ' LEU . . . -87.06 162.78 17.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.3 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 75.9 mt 69.17 92.23 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.368 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 45' ' ' LEU . 22.1 ptmt -165.68 21.12 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.507 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 42' ' ' ARG . 7.1 ttm-85 -73.94 -62.41 1.51 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.55 -43.04 23.79 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.75 -36.61 69.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.765 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 74' ' ' ILE . 15.3 tp -52.15 -57.93 8.13 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG12 HD11 ' A' ' 50' ' ' LEU . 2.0 t -68.07 -37.53 78.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 110.212 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -52.56 -58.22 7.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.245 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 37.6 p-90 -76.18 -29.06 57.55 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.321 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' ILE . 24.0 t80 -59.3 -52.79 64.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 CA-C-O 120.894 0.378 . . . . 0.0 110.615 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.543 HD11 HG12 ' A' ' 46' ' ' VAL . 14.9 mt -62.57 -39.13 92.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.054 -179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.726 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.4 OUTLIER -70.65 -27.09 63.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.732 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HG3' ' N ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -83.49 -37.16 23.46 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.813 -179.104 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.662 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 29.8 pt -90.78 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 7.0 pt-20 -60.87 -23.36 65.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.886 0.374 . . . . 0.0 111.32 -178.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -32.74 72.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.384 178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 53' ' ' ILE . 7.5 pt-20 -88.17 -16.09 34.3 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.217 0.532 . . . . 0.0 110.199 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.768 HG21 ' HB2' ' A' ' 63' ' ' LEU . 36.0 mm -73.67 91.06 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.61 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.058 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -84.27 -14.96 48.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.653 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 57.4 m -139.03 143.52 38.45 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.374 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.653 ' HG3' HG21 ' B' ' 393' ' ' ILE . 2.6 tt0 -51.77 -44.63 63.46 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.526 0.516 . . . . 0.0 110.624 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HA ' HG12 ' A' ' 64' ' ' ILE . 3.3 mp0 -53.99 -38.97 65.62 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.9 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -58.9 -43.23 90.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.095 0.474 . . . . 0.0 110.237 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.768 ' HB2' HG21 ' A' ' 57' ' ' ILE . 17.5 tp -69.95 -39.69 75.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.822 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.875 ' HA ' HD11 ' B' ' 390' ' ' LEU . 18.7 mm -53.29 -52.96 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-O 121.548 0.689 . . . . 0.0 109.175 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -58.56 -52.04 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.836 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' O ' HG22 ' A' ' 70' ' ' ILE . 25.9 mmtm -57.39 -47.48 81.58 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.156 -179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.703 ' HD2' ' HB3' ' B' ' 389' ' ' LEU . 1.1 tppt? -65.64 -38.3 88.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -62.59 -46.65 87.32 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.762 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.4 mt -68.08 -52.74 35.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.782 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 66' ' ' LYS . 9.3 tp -56.26 -42.27 73.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 121.23 -0.188 . . . . 0.0 111.467 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.56 -44.81 77.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.762 0.315 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -64.95 -39.71 93.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.338 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.47 -44.06 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.585 HD11 HD23 ' A' ' 45' ' ' LEU . 97.2 mt -63.52 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.105 0.479 . . . . 0.0 110.044 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.37 -41.62 98.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.446 0.641 . . . . 0.0 109.686 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.6 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 35.3 ttt180 -67.43 -42.9 82.41 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.998 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.814 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 8.5 tt -57.37 -39.32 75.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.625 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.01 -36.56 30.48 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -98.17 -67.91 0.83 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.6 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 98.7 m-85 -66.38 -53.4 36.34 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 84.2 m-20 -68.83 -48.11 64.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.102 -178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 59.35 33.36 22.41 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.304 0.573 . . . . 0.0 110.05 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG12 ' HG ' ' A' ' 77' ' ' LEU . 7.0 p -95.81 7.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.038 -178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 108' ' ' LEU . 13.9 tp -90.47 130.1 36.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.276 179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.847 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.2 mt -96.85 139.42 19.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -137.53 151.39 48.36 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.078 0.466 . . . . 0.0 110.58 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.989 ' HB3' HD22 ' A' ' 92' ' ' LEU . 52.3 mt -84.35 173.93 10.54 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 90' ' ' ALA . 15.0 t -158.39 37.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.583 0.706 . . . . 0.0 111.173 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.412 ' HG3' ' CB ' ' A' ' 101' ' ' SER . 23.4 tt0 74.0 -14.83 0.64 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.399 -1.273 . . . . 0.0 110.969 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 88' ' ' THR . . . -120.66 131.66 54.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.49 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.82 44.5 8.3 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.047 -0.596 . . . . 0.0 113.17 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.989 HD22 ' HB3' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -149.38 20.7 0.95 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.749 0.309 . . . . 0.0 111.51 179.445 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.603 ' HG3' ' HA ' ' A' ' 99' ' ' SER . 36.0 mmtt -136.9 -37.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.899 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.01 -29.58 11.81 Favored Glycine 0 C--N 1.33 0.201 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.665 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -86.93 147.16 25.88 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.64 -25.96 64.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.934 0.397 . . . . 0.0 110.752 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -147.78 122.89 10.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.793 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 142.7 4.01 0.91 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.44 -0.886 . . . . 0.0 112.9 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.603 ' HA ' ' HG3' ' A' ' 93' ' ' LYS . 68.1 m -66.93 114.73 5.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.807 0.337 . . . . 0.0 110.68 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -63.92 -73.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.853 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.412 ' CB ' ' HG3' ' A' ' 89' ' ' GLN . 7.3 m 52.75 45.89 27.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.341 0.591 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -67.77 -26.96 66.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.92 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -79.14 146.06 33.38 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -80.12 -18.3 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.095 0.474 . . . . 0.0 111.359 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -111.68 132.3 21.97 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.17 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -83.2 177.4 6.6 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.07 2.514 . . . . 0.0 113.06 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -86.15 137.13 32.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.367 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 4.1 mm? -103.17 126.51 50.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.845 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.847 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -136.05 140.14 44.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.737 0.304 . . . . 0.0 111.155 -178.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.8 149.97 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -65.17 138.02 97.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.681 0.276 . . . . 0.0 110.502 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.54 ' HB3' HD12 ' A' ' 28' ' ' LEU . 47.6 Cg_endo -68.67 -8.46 23.34 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.279 2.652 . . . . 0.0 113.298 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -89.87 -69.06 0.74 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.573 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 28.5 t80 69.99 151.95 0.1 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.947 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.589 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -100.42 165.42 11.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.946 0.403 . . . . 0.0 111.181 -179.628 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -128.55 176.35 7.83 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.871 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 122.115 0.959 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--N 1.301 -1.525 0 CA-C-N 113.844 -1.525 . . . . 0.0 110.026 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.478 0.18 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -78.95 77.28 5.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.235 0.54 . . . . 0.0 110.358 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' B' ' 388' ' ' ASP . 11.8 mt -66.28 -59.21 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.312 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -124.82 34.82 4.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.004 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 68.06 -118.7 9.79 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.6 m -91.7 104.0 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.0 109.769 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 12.5 t -159.77 163.45 34.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.647 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -63.24 -20.09 65.13 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.082 0.467 . . . . 0.0 110.758 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.647 ' HB3' HD12 ' B' ' 382' ' ' LEU . 5.1 m-20 -56.16 -26.68 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.534 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.703 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 9.1 mt -59.56 -47.94 83.58 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.112 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.875 HD11 ' HA ' ' A' ' 64' ' ' ILE . 9.2 tp -82.26 -30.61 30.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.09 -27.61 69.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.515 0.674 . . . . 0.0 109.509 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -61.68 -31.9 72.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.869 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.732 HG13 HD23 ' A' ' 63' ' ' LEU . 1.7 mp -56.17 -36.97 47.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.614 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.457 ' HD2' ' HA ' ' B' ' 394' ' ' ARG . 17.5 mmm180 -56.88 -33.21 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.623 -178.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -101.83 -11.36 19.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.746 0.784 . . . . 0.0 109.849 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.654 ' HB3' ' HA ' ' B' ' 393' ' ' ILE . 5.4 tmtm? -81.09 -34.16 32.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.327 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.4 -10.47 43.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.719 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -64.57 -50.05 68.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.777 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' B' ' 396' ' ' LYS . 0.0 OUTLIER -63.04 -25.47 68.39 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.598 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -75.86 -47.7 24.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.72 0.295 . . . . 0.0 110.59 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -27.25 68.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.562 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.84 4.43 29.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.389 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -128.38 -47.93 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.611 0.244 . . . . 0.0 111.626 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.3 63.23 1.93 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.813 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 22.0 ptm -106.14 -1.6 23.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.761 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 2.4 m 63.2 -103.81 0.13 Allowed 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.669 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.2 mtt180 -122.98 -73.21 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.008 0.433 . . . . 0.0 110.644 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.063 -179.494 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -58.81 -71.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.966 2.444 . . . . 0.0 112.612 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -154.24 -40.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.176 -0.209 . . . . 0.0 111.272 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.03 156.57 21.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.076 0.465 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.77 29.48 5.77 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.745 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.6 mt -78.36 -14.66 59.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.261 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -67.43 -46.75 72.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.013 -179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.3 mt -94.5 -95.67 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' HB2' ' A' ' 17' ' ' TYR . . . -73.69 79.33 0.84 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.972 -0.632 . . . . 0.0 113.047 -178.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -85.59 -39.06 17.76 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.75 0.309 . . . . 0.0 110.447 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.0 p -62.33 -46.5 88.43 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.983 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -70.56 -36.9 73.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.742 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 13' ' ' GLY . 11.6 t80 -62.6 -40.46 96.99 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 21.6 t -65.93 -38.26 88.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.748 178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -65.06 -42.46 94.18 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 69' ' ' ILE . 0.7 OUTLIER -66.69 -49.83 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 110.138 179.508 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.571 ' O ' HG22 ' A' ' 24' ' ' ILE . 7.6 m -64.12 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -63.35 -32.51 73.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.747 179.733 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD22 HD11 ' A' ' 70' ' ' ILE . 0.1 OUTLIER -60.56 -43.44 97.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.891 -179.447 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.571 HG22 ' O ' ' A' ' 21' ' ' SER . 7.8 tp -64.91 -40.09 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 29.9 m -77.52 -37.94 25.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.61 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.8 mt -68.6 -46.89 68.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 111.275 -179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 31' ' ' VAL . 51.3 t-80 -65.15 -34.84 79.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' ILE . 2.0 tm? -62.12 -43.37 98.98 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' VAL . 68.6 mtp180 -58.97 -38.48 79.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.587 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -72.26 -38.78 68.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.354 179.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 27' ' ' HIS . 55.4 t -65.49 -43.47 94.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.2 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 36' ' ' ASP . 10.2 pt-20 -66.61 -27.9 68.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.392 . . . . 0.0 110.454 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -78.78 -42.62 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -88.12 -68.26 0.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.978 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 15.7 mm-40 -65.64 -37.35 86.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.349 -178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER 66.51 18.08 10.75 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.605 179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 10.6 pt-20 -123.61 -3.63 8.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 m 68.06 -34.95 0.26 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.91 0.884 . . . . 0.0 113.155 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -54.18 134.62 44.47 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.117 0.484 . . . . 0.0 112.17 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.724 HD13 HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -136.2 176.69 8.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.811 -179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HB2' ' HB3' ' A' ' 44' ' ' GLU . 42.5 mttp -94.41 130.47 40.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.171 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.628 ' HB2' HD12 ' A' ' 108' ' ' LEU . 57.4 ttt180 -59.47 -61.73 2.4 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -64.77 -33.53 76.19 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.71 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . 36.2 tt0 -61.55 -36.08 79.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.904 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.724 HD11 HD13 ' A' ' 40' ' ' LEU . 50.1 mt -53.19 -57.49 10.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.905 0.383 . . . . 0.0 110.922 179.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.738 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 p -72.67 -30.91 35.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.622 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 19.3 t30 -50.31 -60.97 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.155 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -70.28 -29.06 65.73 Favored 'General case' 0 CA--C 1.522 -0.123 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' HG12 ' A' ' 53' ' ' ILE . 39.4 t80 -56.12 -46.57 79.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.325 0.583 . . . . 0.0 109.696 179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.86 HD13 ' HE3' ' A' ' 67' ' ' LYS . 12.7 mt -69.54 -42.98 73.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HD3' ' HA ' ' A' ' 51' ' ' LYS . 9.9 mmtp -59.24 -29.82 67.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.441 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.57 -44.67 13.32 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.687 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.701 ' O ' HG12 ' A' ' 57' ' ' ILE . 43.8 pt -81.11 -21.97 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.452 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 5.1 pt-20 -59.74 -25.63 65.01 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m -76.72 -21.69 54.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.491 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -103.54 -24.0 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.727 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.701 HG12 ' O ' ' A' ' 53' ' ' ILE . 42.6 mm -64.65 118.44 6.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.13 0.49 . . . . 0.0 110.688 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.506 ' O ' ' HE2' ' B' ' 400' ' ' LYS . 25.1 t70 -100.28 -25.38 14.26 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.071 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -104.3 130.02 52.13 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.65 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.43 -34.94 73.11 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.07 -44.18 82.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.169 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HB3' HD12 ' A' ' 57' ' ' ILE . 8.5 mm-40 -62.05 -48.04 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.052 179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.644 ' HB2' HG21 ' A' ' 57' ' ' ILE . 14.7 tp -61.56 -35.33 77.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.214 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.71 HG12 HD11 ' B' ' 390' ' ' LEU . 95.6 mt -75.5 -45.04 40.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.856 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -62.17 -51.65 67.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.509 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -58.85 -41.34 86.73 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.145 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.86 ' HE3' HD13 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -64.35 -43.06 95.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.335 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.0 ttp-105 -61.82 -47.55 84.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.648 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 20' ' ' ILE . 23.8 mt -63.04 -53.32 47.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.99 -179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.973 HD11 HD22 ' A' ' 23' ' ' LEU . 9.9 tp -55.49 -44.32 75.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 121.041 -0.263 . . . . 0.0 111.356 -178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -65.76 -48.9 70.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 0.0 110.489 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -57.58 -41.17 80.57 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.981 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.17 -49.04 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 77' ' ' LEU . 89.1 mt -60.26 -44.36 95.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.447 0.641 . . . . 0.0 110.044 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 6.1 t60 -63.08 -40.41 97.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 76' ' ' ARG . 21.3 ttp-105 -75.92 -31.12 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 0.0 111.332 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.788 ' HA ' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -57.46 -36.88 72.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.173 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.715 ' HB ' HD13 ' A' ' 84' ' ' LEU . 5.2 t -93.64 -14.42 26.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 111.242 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 2.7 t60 -95.9 -75.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -82.76 -42.18 18.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.788 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 2.9 m-20 -63.31 -44.55 94.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.831 -179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 61.46 32.32 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' A' ' 81' ' ' ASP . 18.1 m -105.87 10.88 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.068 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.871 HD21 HD22 ' A' ' 108' ' ' LEU . 5.3 tt -98.85 140.27 33.28 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.656 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.719 ' HB ' ' HB ' ' A' ' 109' ' ' VAL . 3.2 mp -115.41 117.07 54.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -110.64 128.14 55.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.002 0.43 . . . . 0.0 110.1 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 80.5 mt -83.93 175.11 9.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.056 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.4 p -79.84 156.24 27.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -31.84 57.75 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.817 0.342 . . . . 0.0 110.601 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.0 162.21 13.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.187 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 83.82 23.1 54.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.294 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.6 mt -121.08 -67.79 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.756 0.312 . . . . 0.0 110.754 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 -35.81 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.023 -179.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 142.6 86.1 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.084 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.2 m -114.4 108.8 17.37 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.0 t -121.01 -23.02 5.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.332 0.587 . . . . 0.0 109.97 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -110.38 139.52 45.5 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.359 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.47 -96.63 2.03 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.17 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 m 58.24 56.78 4.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.328 0.585 . . . . 0.0 110.627 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -113.59 -45.74 3.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.93 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m 54.73 39.25 31.22 Favored 'General case' 0 CA--C 1.53 0.201 0 O-C-N 123.773 0.67 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -93.91 -28.82 15.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.514 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -93.54 -32.28 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -131.27 167.03 19.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.139 0.495 . . . . 0.0 111.554 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -103.57 153.31 38.69 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.905 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.11 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.615 2.21 . . . . 0.0 111.419 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.557 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 95.6 m-85 -78.19 114.86 17.47 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.871 HD22 HD21 ' A' ' 84' ' ' LEU . 45.9 mt -94.7 135.35 36.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.604 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.719 ' HB ' ' HB ' ' A' ' 85' ' ' ILE . 8.2 t -123.29 151.2 27.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.63 179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.0 p -125.27 143.86 37.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-80 -66.46 145.03 98.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 8.4 Cg_exo -71.58 -3.54 13.27 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.108 2.539 . . . . 0.0 113.253 -178.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -97.9 -84.74 0.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.41 ' HE2' ' HB2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER 62.16 104.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.497 0.665 . . . . 0.0 110.982 -179.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.561 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -111.87 160.79 17.05 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.868 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.6 mt -120.62 -61.9 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -150.85 -54.21 0.14 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.226 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.541 178.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -131.84 109.12 9.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.664 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 31.0 tp -76.25 113.44 13.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.258 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -78.17 140.9 38.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.039 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . 114.41 -3.6 23.49 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 1.5 p -130.19 156.32 42.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 7.1 m 68.5 -70.94 0.12 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.21 0.604 . . . . 0.0 111.651 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.68 -47.92 83.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.071 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' B' ' 391' ' ' GLU . 1.0 OUTLIER -64.37 -27.98 69.39 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.119 0.485 . . . . 0.0 111.204 -179.811 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.63 -25.12 56.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.453 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.71 HD11 HG12 ' A' ' 64' ' ' ILE . 5.3 tp -86.31 -5.49 59.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.196 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 388' ' ' ASP . 5.6 pt-20 -59.89 -25.2 64.9 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.696 0.284 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -72.46 -20.77 61.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.269 0.557 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.539 ' HB ' ' O ' ' B' ' 390' ' ' LEU . 1.6 mp -63.41 -25.38 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.357 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -59.61 -46.56 88.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.051 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -73.61 -29.05 62.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.21 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 2.4 tmtm? -66.71 -31.69 72.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.578 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -60.26 -51.36 69.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.75 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -65.95 -32.77 74.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.503 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.53 -36.05 79.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.506 ' HE2' ' O ' ' A' ' 58' ' ' ASP . 11.5 tptt -64.31 -25.44 68.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.333 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -71.48 -17.11 62.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.15 0.5 . . . . 0.0 110.316 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.47 -60.35 1.63 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.086 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . 60.92 -167.05 0.19 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -105.1 38.12 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.24 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 25.3 mmt -66.79 -33.7 76.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.774 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 4.9 m 53.07 80.46 0.1 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.294 178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.1 -29.92 58.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.657 178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.354 -0.831 . . . . 0.0 110.028 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . . . . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 5' ' ' ALA . 16.5 Cg_exo -68.88 -7.26 20.21 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.22 2.613 . . . . 0.0 112.614 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HB3' HD23 ' A' ' 10' ' ' LEU . 42.8 mttm 60.11 69.82 0.67 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.162 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.98 -24.75 23.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.465 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 p -111.76 -11.67 13.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.755 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 7' ' ' LYS . 78.0 mt 62.19 40.98 11.12 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.251 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -79.37 173.79 12.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.358 -179.199 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 tp 74.61 -71.69 0.13 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.996 0.81 . . . . 0.0 109.96 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.8 -156.94 31.0 Favored Glycine 0 N--CA 1.442 -0.934 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 56.99 38.1 29.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.777 0.322 . . . . 0.0 110.959 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 p -66.11 -35.06 79.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.12 0.486 . . . . 0.0 110.189 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.03 -49.6 27.82 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.336 178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.44 -39.03 75.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.899 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.3 t -62.12 -47.61 83.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -59.78 -35.11 73.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.79 0.328 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 66' ' ' LYS . 1.1 mp -74.43 -50.57 26.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.099 0.476 . . . . 0.0 110.412 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -61.17 -36.18 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -58.98 -35.97 74.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.712 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 70' ' ' ILE . 0.2 OUTLIER -57.95 -44.25 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.513 179.564 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.427 ' N ' HD23 ' A' ' 23' ' ' LEU . 3.5 mm -60.51 -49.69 83.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.47 -51.28 48.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.886 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.2 mt -63.07 -41.66 99.48 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.9 t-80 -73.91 -39.44 63.84 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.101 -0.64 . . . . 0.0 111.465 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD21 ' HB3' ' A' ' 38' ' ' SER . 1.6 tm? -61.76 -45.83 92.2 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.555 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 16.4 ptm180 -63.52 -29.74 70.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.176 0.512 . . . . 0.0 110.209 179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -72.87 -41.92 64.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.376 0.607 . . . . 0.0 109.632 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.617 HG21 HD21 ' A' ' 40' ' ' LEU . 49.5 t -65.88 -44.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.53 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 8.8 pt-20 -64.71 -28.65 69.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.977 0.418 . . . . 0.0 110.264 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -70.06 -39.19 75.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.196 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -102.09 -68.99 0.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -62.14 -40.49 96.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.441 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.23 -6.66 1.49 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.379 0.671 . . . . 0.0 111.944 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.04 -22.04 24.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.081 0.467 . . . . 0.0 111.349 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.504 ' HB3' HD21 ' A' ' 28' ' ' LEU . 7.3 m 58.92 20.53 8.21 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.3 138.88 31.77 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.684 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 31' ' ' VAL . 41.3 mt -144.88 164.04 32.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.148 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -101.68 139.07 37.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.963 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -54.02 -63.13 1.25 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' ASN . 1.3 m -64.66 -28.59 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -73.11 -40.44 64.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 23' ' ' LEU . 3.1 mt -54.49 -52.36 62.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.157 0.503 . . . . 0.0 110.853 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.717 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -72.52 -33.16 44.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.781 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' SER . 50.5 t30 -50.31 -59.54 3.87 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.33 -29.43 66.13 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.415 -0.514 . . . . 0.0 111.51 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' HG12 ' A' ' 53' ' ' ILE . 36.2 t80 -53.91 -52.59 60.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.377 0.608 . . . . 0.0 110.643 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.935 HD22 ' HZ2' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -68.64 -45.73 71.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.347 -179.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.43 -27.85 62.77 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -83.65 -45.01 13.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.9 pt -89.02 -11.08 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -177.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 2.0 pt-20 -65.41 -25.05 67.37 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -178.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -73.53 -24.45 60.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.516 0.198 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -101.83 10.09 40.19 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.457 0.646 . . . . 0.0 110.082 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 63' ' ' LEU . 13.4 mm -82.4 108.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.843 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -21.03 37.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.183 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.575 ' HA ' ' HE3' ' B' ' 400' ' ' LYS . 0.5 OUTLIER -135.98 129.33 31.94 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.26 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.582 ' HG2' ' N ' ' A' ' 61' ' ' GLU . 16.9 pm0 -53.08 -39.83 63.63 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-O 120.752 0.31 . . . . 0.0 110.575 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.582 ' N ' ' HG2' ' A' ' 60' ' ' GLU . 27.5 mt-10 -53.17 -35.24 59.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.146 179.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 8.8 mm-40 -63.24 -41.92 99.15 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 177.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.6 tp -74.01 -36.63 64.5 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.107 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.773 HG23 HD21 ' B' ' 390' ' ' LEU . 9.9 mt -62.92 -49.59 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.464 ' O ' HG13 ' A' ' 69' ' ' ILE . 3.2 t30 -61.07 -50.67 72.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.28 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -55.99 -40.47 73.36 Favored 'General case' 0 CA--C 1.523 -0.088 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.273 179.669 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.935 ' HZ2' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -64.51 -49.19 72.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.362 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 17.8 tpp180 -62.54 -40.74 97.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.595 HG22 HG21 ' A' ' 20' ' ' ILE . 42.9 mt -65.37 -53.24 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.31 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.702 HD11 HD22 ' A' ' 23' ' ' LEU . 9.6 tp -60.35 -37.1 73.0 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 120.557 0.218 . . . . 0.0 111.204 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.15 -47.49 64.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.344 0.592 . . . . 0.0 109.774 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -60.45 -46.69 89.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.612 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 69' ' ' ILE . 33.9 m -59.14 -36.56 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.523 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.5 mt -70.44 -40.98 78.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -65.31 -39.73 92.85 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.293 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.643 ' HA ' ' HD1' ' A' ' 80' ' ' TYR . 57.0 ttp180 -69.79 -40.95 75.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.309 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD13 ' HE1' ' A' ' 114' ' ' TYR . 8.6 tp -63.24 -42.73 99.24 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.623 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.2 p -84.24 4.06 32.54 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -134.47 -60.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.144 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.643 ' HD1' ' HA ' ' A' ' 76' ' ' ARG . 84.4 m-85 -75.28 -54.72 6.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.712 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 12.8 m-20 -63.08 -50.29 71.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.879 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 m170 65.69 17.78 10.99 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.795 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.75 19.36 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.259 1.028 . . . . 0.0 109.536 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 78' ' ' THR . 0.5 OUTLIER -94.27 124.98 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.28 179.464 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.006 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.1 mt -87.51 133.49 30.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.97 147.52 49.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.522 . . . . 0.0 111.049 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 107' ' ' TYR . 6.4 mp -97.35 165.37 12.05 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.764 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.7 p -81.14 115.81 20.75 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.675 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -52.72 -41.19 63.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.835 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.76 79.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.707 0.289 . . . . 0.0 111.325 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.7 74.85 Favored Glycine 0 N--CA 1.452 -0.279 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.303 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -112.31 16.92 19.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.224 0.535 . . . . 0.0 109.636 179.215 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -116.85 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.352 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -127.82 -13.12 2.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.335 -0.936 . . . . 0.0 113.077 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 m 58.41 22.54 9.61 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.509 HG23 ' HG2' ' A' ' 97' ' ' GLU . 5.1 t 170.68 -19.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.085 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' HG2' HG23 ' A' ' 96' ' ' THR . 34.2 mm-40 -117.62 150.29 39.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.759 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.93 -109.29 3.55 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.466 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.2 m 61.94 25.39 15.24 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.763 0.425 . . . . 0.0 111.764 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.628 ' HB2' ' HD1' ' A' ' 102' ' ' TYR . 56.2 mt-10 -120.47 154.2 35.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 m -84.27 30.7 0.52 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.755 0.312 . . . . 0.0 111.693 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.628 ' HD1' ' HB2' ' A' ' 100' ' ' GLU . 25.2 p90 -84.23 -16.98 41.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.208 0.528 . . . . 0.0 110.328 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.42 176.62 6.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.613 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.85 -175.54 5.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.743 0.306 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.88 146.94 95.85 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.17 -160.96 0.11 Allowed 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.661 2.241 . . . . 0.0 112.192 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.7 ' HB2' HD13 ' A' ' 87' ' ' LEU . 39.6 m-85 -82.69 126.86 32.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.621 ' HB3' HD11 ' A' ' 84' ' ' LEU . 60.2 mt -111.62 130.79 55.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.782 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.006 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -134.67 138.62 49.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.052 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.404 ' HA ' HD22 ' A' ' 84' ' ' LEU . 8.1 p -101.71 145.15 12.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 61.6 t30 -64.17 130.19 94.43 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 111' ' ' ASN . 31.7 Cg_exo -59.49 -11.55 14.28 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.123 2.549 . . . . 0.0 112.863 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -83.9 -65.7 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.572 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.724 ' HE1' HD13 ' A' ' 77' ' ' LEU . 6.2 t80 65.59 172.75 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.166 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.74 174.81 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.6 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.2 -176.33 3.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.705 0.288 . . . . 0.0 110.654 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.36 -29.12 64.59 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.356 -179.682 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 121.078 0.466 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -90.64 83.79 5.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.769 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 133.03 48.6 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 35.5 pttt -147.04 91.09 1.96 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.087 0.47 . . . . 0.0 111.702 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -79.78 91.14 1.28 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' B' ' 389' ' ' LEU . 42.1 t -74.98 110.3 9.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.908 0.385 . . . . 0.0 111.541 -178.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 66.2 m -156.82 -91.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.306 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -72.73 -33.62 66.53 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.187 0.518 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' B' ' 391' ' ' GLU . 6.1 p-10 -64.86 -10.76 30.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.585 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.637 ' HG ' ' HD2' ' A' ' 67' ' ' LYS . 4.1 tp -55.43 -51.88 65.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.455 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.773 HD21 HG23 ' A' ' 64' ' ' ILE . 28.8 tp -87.65 -13.02 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.804 ' HG2' ' HE ' ' B' ' 394' ' ' ARG . 3.4 tt0 -70.75 -10.98 60.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.617 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.44 -28.51 34.19 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.524 0.678 . . . . 0.0 109.903 178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.648 HG21 ' CG1' ' A' ' 64' ' ' ILE . 1.7 mp -58.69 -36.21 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.73 -178.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.804 ' HE ' ' HG2' ' B' ' 391' ' ' GLU . 23.2 ptt85 -59.49 -23.29 62.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 111.321 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -100.97 -17.22 16.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.555 0.693 . . . . 0.0 109.713 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.462 ' HD2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -81.69 -29.86 32.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.993 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' B' ' 400' ' ' LYS . 1.2 pp20? -58.96 -30.66 68.09 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.89 67.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -59.65 -23.3 62.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.12 -178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.575 ' HE3' ' HA ' ' A' ' 59' ' ' SER . 8.4 mtmm -68.7 -29.36 67.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.677 0.275 . . . . 0.0 110.944 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -77.37 -26.68 52.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.127 0.489 . . . . 0.0 109.887 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' B' ' 408' ' ' TRP . 8.7 mp -92.47 -7.96 45.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.426 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -57.38 113.88 1.96 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.585 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 65.44 19.67 11.62 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.309 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 24.9 ttt -84.98 -49.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.31 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . 0.417 ' HB ' ' CZ3' ' B' ' 408' ' ' TRP . 5.1 m -152.96 69.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.865 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 407' ' ' ARG . 31.3 ttp180 60.08 52.35 5.18 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.593 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' B' ' 402' ' ' LEU . 7.4 m0 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.424 -0.798 . . . . 0.0 110.292 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -64.29 -37.1 42.25 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.64 2.227 . . . . 0.0 112.297 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -123.82 161.75 24.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.08 63.56 1.23 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.399 0.619 . . . . 0.0 110.883 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -92.77 -12.51 31.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.41 -18.05 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 111.131 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -80.85 100.38 8.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.784 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.88 HD21 ' HE2' ' A' ' 17' ' ' TYR . 1.1 pt? -178.66 -31.21 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.525 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.21 -49.53 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 5.1 t80 72.61 3.98 4.85 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 124.187 0.581 . . . . 0.0 111.098 179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.15 -48.41 73.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.134 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.39 -38.6 65.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.4 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.88 ' HE2' HD21 ' A' ' 12' ' ' LEU . 53.0 m-85 -59.67 -45.18 92.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 40.5 m -61.23 -47.92 83.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -63.36 -36.24 83.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.045 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 1.4 mp -77.83 -51.83 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 111.593 0.22 . . . . 0.0 111.593 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -60.08 -31.85 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' SER . 65.3 t30 -62.33 -35.05 77.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.307 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -59.14 -41.23 87.77 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 24' ' ' ILE . 3.5 mm -62.73 -47.56 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.294 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.8 t -66.46 -47.44 83.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' HA ' ' HD2' ' A' ' 29' ' ' ARG . 83.4 mt -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.712 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.619 ' HE1' HD23 ' A' ' 40' ' ' LEU . 49.1 t-80 -63.13 -45.8 90.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.602 -178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -63.08 -49.69 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.5 0.19 . . . . 0.0 111.038 -179.603 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.574 ' HD2' ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -61.43 -31.36 71.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.138 -179.314 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -73.19 -54.77 7.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.0 m -61.02 -36.15 70.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' A' ' 29' ' ' ARG . 5.7 pt-20 -70.12 -29.03 65.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.803 0.335 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.67 -35.05 30.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.37 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.69 -62.98 1.52 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -106.03 -78.79 0.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.184 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 21.0 t70 -178.96 -54.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.384 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.11 -42.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.773 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.7 m 71.12 -48.29 0.67 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.9 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . 54.92 89.49 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.345 0.658 . . . . 0.0 112.147 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD23 ' HE1' ' A' ' 27' ' ' HIS . 2.2 mm? -100.63 -151.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.56 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' H ' ' HB3' ' A' ' 40' ' ' LEU . 16.6 mttm -125.81 163.33 23.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 46' ' ' VAL . 12.9 ptm180 -60.23 -47.81 84.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.021 -179.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -30.05 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.552 0.215 . . . . 0.0 111.13 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -71.32 -37.83 71.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 ' HE1' ' A' ' 48' ' ' TRP . 0.7 OUTLIER -62.44 -42.05 99.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 109.621 178.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.695 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 19.9 t -73.22 -34.8 45.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.135 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -50.13 -59.53 3.83 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.139 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.721 ' HE1' HD13 ' A' ' 45' ' ' LEU . 48.5 p-90 -68.74 -29.43 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.029 -179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' HE2' ' HG3' ' A' ' 66' ' ' LYS . 19.2 t80 -60.29 -51.55 69.07 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.228 0.537 . . . . 0.0 110.196 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 15.4 mt -63.02 -37.06 85.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.962 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -29.11 69.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.097 0.475 . . . . 0.0 110.93 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 32.2 mm-40 -84.54 -36.04 22.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.458 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.646 ' O ' HG12 ' A' ' 57' ' ' ILE . 20.3 pt -87.9 -13.48 10.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 50' ' ' LEU . 10.1 pt-20 -60.09 -24.07 64.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.855 0.359 . . . . 0.0 111.364 -179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -24.59 40.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.112 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.28 -17.75 20.5 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.161 0.505 . . . . 0.0 110.044 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.987 HG21 ' HB2' ' A' ' 63' ' ' LEU . 23.9 mm -86.05 98.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.767 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -95.9 -12.28 25.4 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.13 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.07 128.88 48.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.739 179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.67 -35.71 66.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -54.49 -36.58 64.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.521 0.2 . . . . 0.0 111.101 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.599 ' HB3' HD12 ' A' ' 57' ' ' ILE . 44.8 mm-40 -66.55 -46.77 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.184 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.987 ' HB2' HG21 ' A' ' 57' ' ' ILE . 21.0 tp -65.92 -49.66 67.22 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.705 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.776 HG12 HD21 ' B' ' 390' ' ' LEU . 22.0 mt -55.58 -36.29 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.129 178.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' ILE . 1.5 t30 -71.29 -46.75 60.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.101 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HG2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -58.08 -44.19 87.45 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.588 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.787 ' HD2' HD12 ' B' ' 390' ' ' LEU . 65.6 mttt -65.72 -34.51 78.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.186 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' HA ' HH11 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -66.93 -42.98 84.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.893 178.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 65' ' ' ASN . 37.3 mm -70.38 -48.16 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.26 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 HG13 ' A' ' 46' ' ' VAL . 11.0 tp -58.04 -39.28 71.65 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.273 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -76.59 -36.21 57.67 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.405 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -58.93 -50.56 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.838 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.3 m -65.33 -40.81 89.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.034 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 64.4 mt -65.29 -41.67 91.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.98 0.419 . . . . 0.0 110.395 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -63.92 -43.83 94.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.17 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.677 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 12.2 ttm180 -68.13 -38.76 82.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.81 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' HG ' HG12 ' A' ' 83' ' ' VAL . 6.7 tt -60.94 -44.44 97.24 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.078 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.927 ' HA ' HD22 ' A' ' 84' ' ' LEU . 17.4 p -85.26 3.99 36.9 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -132.96 -68.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.21 -0.596 . . . . 0.0 112.144 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.677 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 75.0 m-85 -72.85 -66.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -177.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.31 -44.4 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.87 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 62.49 33.52 16.0 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.404 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 HG22 ' HB3' ' A' ' 111' ' ' ASN . 7.1 p -90.45 13.86 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 122.2 1.0 . . . . 0.0 109.795 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.927 HD22 ' HA ' ' A' ' 78' ' ' THR . 1.4 pt? -91.24 147.0 23.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.751 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.925 ' HB ' HG13 ' A' ' 109' ' ' VAL . 8.7 mt -118.36 129.36 74.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.492 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.18 151.0 47.3 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.075 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 85.3 mt -101.1 -160.61 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.1 p -84.19 -170.73 3.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.551 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -122.04 -26.82 4.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.973 0.416 . . . . 0.0 110.09 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 95' ' ' SER . . . -112.98 -32.28 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.12 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.91 -18.76 62.51 Favored Glycine 0 C--N 1.329 0.194 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.392 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 6.6 mt -62.91 -43.22 99.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.166 0.508 . . . . 0.0 110.36 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -88.64 -26.45 21.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.263 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.11 16.74 12.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.197 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.459 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . 1.3 m -79.09 124.11 27.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.7 0.286 . . . . 0.0 110.334 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -114.02 154.03 28.36 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.516 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 62.68 84.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.656 0.598 . . . . 0.0 111.225 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.11 160.71 9.35 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.248 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.9 m -133.53 125.62 29.28 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -100.91 128.09 47.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.251 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 m -89.6 -23.15 22.02 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.442 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -12.84 61.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.182 0.515 . . . . 0.0 110.928 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -66.02 -21.65 66.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.109 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 70.75 174.39 0.3 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.707 0.629 . . . . 0.0 111.187 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -49.0 129.33 15.02 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.154 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.94 -172.36 0.4 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.88 2.386 . . . . 0.0 112.448 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.522 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 39.2 m-85 -70.56 131.92 44.71 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.318 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.402 HD11 HD12 ' A' ' 84' ' ' LEU . 16.2 tp -116.56 129.04 55.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.059 0.457 . . . . 0.0 110.186 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.925 HG13 ' HB ' ' A' ' 85' ' ' ILE . 1.3 p -143.14 143.42 24.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.14 139.89 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.877 0.37 . . . . 0.0 110.466 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 83' ' ' VAL . 26.0 t30 -67.38 125.64 91.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.861 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.55 -18.3 14.92 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.066 2.511 . . . . 0.0 112.307 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.43 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 16.2 m120 -89.42 48.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.392 0.615 . . . . 0.0 109.378 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -73.15 150.86 41.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.372 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -133.99 174.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.047 179.362 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 66.1 mt -101.65 -61.44 1.38 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -175.86 -46.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.465 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.394 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.01 0 CA-C-O 120.869 0.366 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -114.95 172.13 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.664 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.09 165.85 24.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.99 161.58 40.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -70.1 126.22 16.43 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.432 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 34.7 m -101.0 149.48 6.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 121.11 0.481 . . . . 0.0 110.741 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' B' ' 390' ' ' LEU . 0.0 OUTLIER -97.76 9.46 42.55 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.731 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.87 -25.89 68.36 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.339 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -58.08 -53.67 55.59 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.466 0.65 . . . . 0.0 110.159 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 389' ' ' LEU . 1.1 tp -78.51 -15.63 58.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.533 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.787 HD12 ' HD2' ' A' ' 67' ' ' LYS . 1.4 tp -89.47 -7.4 55.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.311 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.807 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 13.3 tt0 -58.08 -37.6 74.79 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.006 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -62.4 -23.08 66.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.326 0.584 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.753 HD12 ' HG ' ' B' ' 390' ' ' LEU . 11.6 mt -71.27 -25.84 25.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.607 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.807 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 4.2 ptp180 -63.29 -24.77 68.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.585 179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -88.02 -34.76 17.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.18 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -64.87 -39.41 93.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.337 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.65 -37.68 76.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.961 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.89 85.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.653 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.19 -40.22 82.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.409 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -64.63 -43.16 94.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.263 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -73.91 -14.96 61.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.194 0.521 . . . . 0.0 110.378 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . . . . . . . . . 16.2 tp -89.68 -10.8 44.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.135 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -77.37 -146.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.67 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 69.36 108.84 0.05 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.094 0.473 . . . . 0.0 110.52 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . 0.544 ' O ' ' HD3' ' B' ' 407' ' ' ARG . 12.7 tpt -65.34 -28.44 69.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.57 116.56 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.337 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . 0.544 ' HD3' ' O ' ' B' ' 405' ' ' MET . 0.0 OUTLIER -96.99 -21.15 17.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.683 0.278 . . . . 0.0 111.294 -179.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 8.0 m-90 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.608 -179.192 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.12 118.26 5.22 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.556 2.17 . . . . 0.0 111.727 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -143.25 -175.9 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 69.93 170.28 0.31 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.022 0.826 . . . . 0.0 111.556 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.9 t -90.35 -168.77 2.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 tp 56.07 37.3 28.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.377 0.608 . . . . 0.0 110.857 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.0 ttt85 -134.51 14.49 3.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.723 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 mt -97.24 -109.42 0.16 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.586 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -118.73 -62.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.682 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 33.4 p90 34.36 49.11 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.588 1.155 . . . . 0.0 113.482 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 11.0 m -64.55 -44.28 91.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.976 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mp0 -61.88 -48.5 80.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.682 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 18.8 m-85 -57.05 -42.23 80.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.125 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 55.8 m -62.64 -43.16 99.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.852 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 15' ' ' SER . 38.9 mmt180 -63.29 -36.79 84.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.861 0.362 . . . . 0.0 111.265 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.42 HG23 HD12 ' A' ' 70' ' ' ILE . 1.6 mp -77.41 -47.94 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.68 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.0 t -59.19 -36.43 75.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.36 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.46 -33.58 72.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.634 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 70' ' ' ILE . 0.0 OUTLIER -62.66 -39.91 95.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.601 179.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 24' ' ' ILE . 5.0 mm -60.37 -52.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.14 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.543 ' HB ' ' NH2' ' A' ' 29' ' ' ARG . 12.4 m -69.09 -43.25 81.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 120.819 -0.353 . . . . 0.0 111.278 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.84 -47.22 83.28 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.037 0.446 . . . . 0.0 111.05 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -70.59 -44.6 66.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.895 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.03 -50.69 72.56 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH2' ' HB ' ' A' ' 25' ' ' VAL . 7.6 ptp180 -61.38 -35.03 76.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.232 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -40.08 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.301 0.572 . . . . 0.0 110.369 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 t -62.98 -51.46 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.388 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.46 -27.8 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -68.77 -43.03 76.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.321 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -102.89 -66.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -65.24 -37.02 85.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 t0 64.3 30.59 13.35 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.692 0.758 . . . . 0.0 110.027 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -154.05 106.09 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.749 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.823 ' HB3' HG23 ' A' ' 109' ' ' VAL . 7.5 t -69.11 -10.6 58.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.373 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB1' ' HB3' ' A' ' 107' ' ' TYR . . . -72.25 88.61 1.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.362 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.3 mt -138.6 161.55 36.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.286 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 43.1 mttm -69.36 131.88 45.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 110.495 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -77.15 -19.25 57.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.777 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 m -60.54 -42.45 96.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 12.6 pt-20 -71.69 -29.51 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.583 179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.655 HD12 ' HE1' ' A' ' 48' ' ' TRP . 58.0 tp -54.62 -48.63 71.99 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 121.067 0.461 . . . . 0.0 110.037 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 34.3 t -72.51 -33.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.48 ' O ' ' HD2' ' A' ' 51' ' ' LYS . 32.4 t30 -55.61 -58.83 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.687 -179.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.655 ' HE1' HD12 ' A' ' 45' ' ' LEU . 44.0 p-90 -66.34 -29.58 69.8 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.873 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -59.52 -50.24 74.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.168 0.509 . . . . 0.0 109.855 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 46' ' ' VAL . 11.7 mt -68.85 -35.84 77.42 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.911 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HD2' ' O ' ' A' ' 47' ' ' ASN . 0.2 OUTLIER -67.7 -23.05 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.821 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 48' ' ' TRP . 74.3 mm-40 -83.52 -36.24 24.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.126 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 57' ' ' ILE . 37.6 pt -99.46 -6.57 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 8.4 pt-20 -54.11 -29.66 45.61 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -178.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -23.5 43.22 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -94.92 -30.27 14.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.992 0.425 . . . . 0.0 110.082 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.601 HG21 ' HB2' ' A' ' 63' ' ' LEU . 35.3 mm -72.01 105.45 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.735 179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -102.65 -15.29 16.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.878 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.595 ' HB2' ' HG2' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -113.08 130.49 56.15 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.426 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.736 ' HG3' HD11 ' A' ' 64' ' ' ILE . 1.5 tp10 -55.1 -42.22 72.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.175 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.418 ' HA ' HG12 ' A' ' 64' ' ' ILE . 56.5 mp0 -56.93 -38.35 72.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.023 -0.99 . . . . 0.0 112.315 -178.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.595 ' HG2' ' HB2' ' A' ' 59' ' ' SER . 78.2 mm-40 -61.87 -43.88 97.94 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 57' ' ' ILE . 4.8 tp -66.8 -41.54 87.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.524 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.736 HD11 ' HG3' ' A' ' 60' ' ' GLU . 5.0 mm -57.94 -47.02 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.233 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 1.3 t30 -60.67 -49.77 76.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.907 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.01 -43.11 86.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.956 0.408 . . . . 0.0 110.432 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.864 ' HD2' HD12 ' B' ' 390' ' ' LEU . 13.1 ttmm -69.35 -43.61 73.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.867 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 65' ' ' ASN . 6.0 ptp180 -60.62 -25.2 66.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.483 0.182 . . . . 0.0 111.265 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 65' ' ' ASN . 32.5 mm -87.86 -53.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.509 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 67' ' ' LYS . 9.3 tp -56.43 -44.07 79.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.174 0.296 . . . . 0.0 111.205 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -61.93 -56.85 14.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.624 0.726 . . . . 0.0 110.444 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.34 -44.51 75.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.308 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.98 -48.0 85.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.518 0.199 . . . . 0.0 110.839 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.75 -41.7 89.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.085 0.469 . . . . 0.0 109.939 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -62.34 -42.74 99.63 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.901 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.613 ' HA ' ' HD2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -68.4 -46.39 70.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -179.601 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.744 HD11 HD23 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -58.98 -39.2 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.997 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.461 HG22 ' HG ' ' A' ' 84' ' ' LEU . 17.8 p -83.76 -15.92 46.71 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -116.44 -75.4 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.613 ' HD2' ' HA ' ' A' ' 76' ' ' ARG . 92.5 m-85 -59.29 -54.35 47.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -177.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 39.7 m-20 -66.72 -40.41 88.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.653 0.263 . . . . 0.0 110.849 -178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 60.23 20.86 10.26 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.19 7.86 3.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 122.245 1.021 . . . . 0.0 109.151 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.744 HD23 HD11 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -101.67 126.11 48.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.704 178.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.968 ' HB ' HG13 ' A' ' 109' ' ' VAL . 3.4 mt -93.56 141.91 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.584 ' HB3' ' HG2' ' A' ' 106' ' ' PRO . 1.6 mt-10 -128.14 98.26 5.05 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.397 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp 170.65 170.01 0.07 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.991 0.807 . . . . 0.0 110.521 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.503 HG22 HD21 ' A' ' 92' ' ' LEU . 2.9 t -144.15 1.81 1.12 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.096 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.48 ' H ' HD11 ' A' ' 92' ' ' LEU . 4.9 tt0 71.02 -46.31 0.63 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.25 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 134.53 51.69 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.413 . . . . 0.0 111.98 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.6 -61.81 3.2 Favored Glycine 0 C--N 1.332 0.336 0 CA-C-N 115.861 -0.609 . . . . 0.0 113.974 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.503 HD21 HG22 ' A' ' 88' ' ' THR . 0.6 OUTLIER -72.15 -7.29 48.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.74 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -143.4 -56.32 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.835 0.35 . . . . 0.0 110.398 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.01 -175.49 50.66 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.865 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.87 -175.96 4.22 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.35 0.119 . . . . 0.0 110.807 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 82.8 p 53.53 -155.14 0.22 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.476 0.71 . . . . 0.0 111.674 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -113.16 -47.21 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.241 0.543 . . . . 0.0 110.324 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.35 -83.49 1.56 Allowed Glycine 0 N--CA 1.441 -0.97 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.564 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 p -121.74 -175.7 3.15 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.64 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 4.6 pt-20 -78.34 76.11 4.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.556 0.693 . . . . 0.0 110.528 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -90.22 42.83 1.12 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.8 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.64 ' CE2' ' HB2' ' A' ' 100' ' ' GLU . 18.1 p90 -75.77 -13.01 60.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -71.4 151.48 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.54 -25.81 59.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.888 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -102.28 152.59 38.31 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.456 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.584 ' HG2' ' HB3' ' A' ' 86' ' ' GLU . 56.3 Cg_endo -71.6 -177.66 2.59 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.788 2.326 . . . . 0.0 113.568 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.786 ' HB3' ' HB1' ' A' ' 39' ' ' ALA . 32.5 m-85 -84.63 122.59 29.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.644 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 1.5 mm? -82.28 122.77 28.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.968 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -129.18 138.47 54.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.4 p -118.58 142.54 32.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.438 ' OD1' HD11 ' A' ' 85' ' ' ILE . 11.3 m120 -102.04 147.62 34.18 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.284 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.62 -6.45 18.57 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.669 2.246 . . . . 0.0 112.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -63.83 -63.22 1.22 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.421 ' HD1' HD22 ' A' ' 115' ' ' LEU . 0.2 OUTLIER 53.83 -154.41 0.25 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.412 -179.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.421 HD22 ' HD1' ' A' ' 114' ' ' TYR . 0.0 OUTLIER -147.95 23.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.932 0.396 . . . . 0.0 110.978 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.85 153.59 48.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.574 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.15 -23.54 47.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 C--O 1.248 0.991 0 O-C-N 124.241 0.963 . . . . 0.0 110.529 -179.388 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' SER . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.938 0.399 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' ALA . . . . . . . . . . . . . . . -91.08 124.3 35.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.897 0.379 . . . . 0.0 111.082 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' LEU . . . . . . . . . . . . . 86.9 mt -108.73 -54.95 2.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.264 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -116.33 150.04 38.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.374 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 384' ' ' GLY . . . . . . . . . . . . . . . -112.64 -14.03 10.85 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.903 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 385' ' ' VAL . . . . . . . . . . . . . 2.1 p -87.71 107.57 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.395 0.617 . . . . 0.0 110.681 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 386' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.96 7.28 39.2 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -57.75 -19.78 30.23 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.137 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 388' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -16.97 35.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.822 0.344 . . . . 0.0 111.027 179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 389' ' ' LEU . . . . . . . . . . . . . 6.1 mp -67.84 -9.04 41.18 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.821 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 390' ' ' LEU . . . . . 0.864 HD12 ' HD2' ' A' ' 67' ' ' LYS . 3.0 tp -69.37 -6.97 33.33 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' B' ' 394' ' ' ARG . 7.2 pt-20 -65.4 -17.28 64.42 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.387 0.613 . . . . 0.0 109.644 178.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -78.63 -21.42 48.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.532 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' ILE . . . . . 0.705 ' O ' ' HG3' ' B' ' 396' ' ' LYS . 26.2 mm -70.75 -28.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.768 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' B' ' 391' ' ' GLU . 26.8 ptt180 -69.07 -25.61 64.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.478 . . . . 0.0 109.792 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.614 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' B' ' 393' ' ' ILE . 0.0 OUTLIER -69.58 -13.24 62.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.98 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.499 ' HA ' ' OE1' ' B' ' 397' ' ' GLU . 20.8 tp10 -61.13 -43.51 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.101 0.477 . . . . 0.0 110.368 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' ALA . . . . . . . . . . . . . . . -63.74 -32.59 74.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.323 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -61.34 -37.51 83.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.958 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -71.36 -28.66 64.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.046 0.451 . . . . 0.0 110.76 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -93.62 -1.47 55.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.095 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' B' ' 402' ' ' LEU . 4.0 tp -61.52 -15.84 41.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.779 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -61.53 126.07 26.03 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -60.33 102.07 0.16 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.129 0.49 . . . . 0.0 111.751 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.86 -31.86 35.19 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.489 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 406' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.12 105.36 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.349 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 407' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -132.33 14.89 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.713 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 408' ' ' TRP . . . . . . . . . . . . . 27.1 t90 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.773 -0.632 . . . . 0.0 109.9 -179.821 . . . . . . . . 0 0 . 1 stop_ save_