data_1ryk_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 1ryk _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 ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.363 0.125 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -77.32 -30.08 53.9 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.57 -45.43 77.33 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.556 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -73.48 -40.07 48.62 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.177 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 28.2 tptt -59.25 -53.04 62.82 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.638 HG11 ' HE3' ' A' ' 21' ' ' TRP . 58.2 t -61.67 -38.91 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.309 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 56.4 mtpt -70.63 -12.54 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.4 mt-10 -87.97 -47.51 8.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.177 0.513 . . . . 0.0 110.35 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.544 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.0 tp60 -70.25 -49.48 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.092 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.711 ' CH2' HD21 ' A' ' 39' ' ' LEU . 9.5 m-90 -94.82 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.14 -27.52 18.86 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.656 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 mmtt -69.96 -27.54 64.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.071 0.462 . . . . 0.0 110.268 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.05 137.37 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.123 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 29' ' ' MET . 54.5 p -98.51 174.31 6.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.24 -30.84 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.422 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.558 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.0 t70 -70.06 -42.53 72.72 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.642 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.681 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 24.6 m-20 -60.06 -44.71 94.51 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.793 0.806 . . . . 0.0 109.114 177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.537 ' HA ' ' HE3' ' A' ' 29' ' ' MET . 1.3 mmt -53.95 -53.1 57.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.342 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 27' ' ' ASP . 14.8 t -63.84 -25.14 68.03 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -173.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.4 mt -75.83 -29.14 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.653 177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 28' ' ' ASP . 56.3 mt -79.27 -69.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 65.44 -60.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.126 0.891 . . . . 0.0 112.598 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.94 12.9 0.1 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.5 mptt -89.66 121.83 32.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.205 0.526 . . . . 0.0 110.451 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -61.48 -43.97 97.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.956 175.178 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.17 -44.57 96.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.196 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 1.5 mm-40 -61.91 -40.95 97.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.711 HD21 ' CH2' ' A' ' 21' ' ' TRP . 22.2 tp -63.34 -40.29 96.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.177 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.1 t -56.31 -47.57 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 175.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.53 -45.01 96.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.211 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.681 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 31.7 mmtt -62.56 -40.92 98.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.42 HD12 ' CZ2' ' A' ' 21' ' ' TRP . 94.4 mt -59.32 -41.03 82.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.168 0.509 . . . . 0.0 110.012 175.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 44.2 mt-30 -74.05 -16.22 61.05 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.63 -54.44 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 111.225 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -45.76 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.157 -172.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.2 m-85 -87.53 -45.62 10.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.459 0.647 . . . . 0.0 109.902 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.67 30.3 7.29 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.275 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.8 m-85 -74.81 170.92 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.366 0.603 . . . . 0.0 111.466 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -89.01 164.81 14.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.422 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -57.6 -40.08 78.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.702 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.54 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.839 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tp60 -70.19 -38.42 75.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.77 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -63.88 -48.38 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.389 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 15.2 mt-10 -73.08 -25.7 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.061 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -59.42 -46.47 88.62 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.251 0.548 . . . . 0.0 109.814 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -73.1 -36.92 66.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.728 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.557 HG22 ' HG ' ' A' ' 39' ' ' LEU . 53.5 t -60.75 -52.46 61.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 55' ' ' GLU . 85.4 t -60.07 -42.58 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.708 0.289 . . . . 0.0 110.924 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.0 t70 -59.05 -56.36 23.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.847 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.3 t90 -63.14 -36.13 82.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -54.44 -58.65 6.64 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.679 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -61.5 -26.02 67.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.957 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 48.5 mtt180 -65.75 -39.58 91.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.242 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.57 -66.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.287 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.942 0.897 . . . . 0.0 112.203 174.371 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 65' ' ' ASN . 3.2 m-85 -82.69 -17.1 45.67 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -173.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.995 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 47.3 mtmt -65.39 -41.07 94.1 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.169 -1.012 . . . . 0.0 109.239 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.16 -36.73 34.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.671 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD2' ' OE2' ' A' ' 19' ' ' GLU . 20.8 tptt -65.5 -47.55 75.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 111.035 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG13 ' HE3' ' A' ' 21' ' ' TRP . 88.9 t -64.16 -30.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.544 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.694 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.0 mttm -67.37 -22.66 65.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.466 -0.493 . . . . 0.0 111.881 173.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' A' ' 16' ' ' LYS . 45.6 mt-10 -74.04 -42.44 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.176 0.513 . . . . 0.0 110.45 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 8.8 tp60 -78.97 -51.0 10.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.749 ' CZ3' HD22 ' A' ' 39' ' ' LEU . 6.8 m-90 -102.27 -76.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.694 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 97.62 -32.52 6.7 Favored Glycine 0 CA--C 1.509 -0.301 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.587 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 tmtt? -69.75 -14.58 62.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.666 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 38.3 mt -78.04 174.64 10.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.645 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -141.56 -172.54 3.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.197 0.523 . . . . 0.0 111.489 -167.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.52 -34.53 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -56.67 -55.18 37.32 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.339 176.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.666 ' OD1' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.7 -41.63 78.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -172.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.995 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 15.4 ttm -79.21 -15.26 58.32 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.536 -167.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.6 t -76.72 -25.16 53.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -84.37 -42.63 17.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.077 0.465 . . . . 0.0 109.913 175.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.513 HD13 ' HG2' ' A' ' 42' ' ' LYS . 1.3 mp -71.72 -70.39 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.364 -177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 66.83 -58.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.843 0.714 . . . . 0.0 112.3 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.9 52.05 0.15 Allowed Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -126.91 128.07 45.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.04 0.448 . . . . 0.0 110.109 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -64.29 -52.4 58.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.964 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.81 -40.49 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.622 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 56.6 mm-40 -62.9 -46.39 88.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.047 -176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD22 ' CZ3' ' A' ' 21' ' ' TRP . 15.9 tp -63.22 -41.54 99.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.729 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.7 t -52.02 -45.13 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.296 175.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -46.9 93.5 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.478 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' A' ' 28' ' ' ASP . 50.7 mmtt -66.95 -39.45 87.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 29.4 mt -54.61 -45.54 72.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-O 121.001 0.429 . . . . 0.0 110.337 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 43.4 mt-30 -70.61 -22.44 62.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.295 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.15 -54.17 4.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.47 . . . . 0.0 111.286 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -73.54 -40.73 63.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.064 -170.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 92.4 m-85 -92.64 -43.87 8.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.869 0.843 . . . . 0.0 110.1 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.05 36.31 5.01 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.169 -171.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.493 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 16.3 m-85 -79.41 176.7 9.45 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.934 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -91.2 153.33 20.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.535 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -55.45 -33.17 63.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 0.0 110.272 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.68 -53.98 51.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.056 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.09 -37.87 75.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.407 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.96 -47.16 83.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.111 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 59' ' ' VAL . 46.4 mt-10 -67.2 -39.18 86.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.94 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.71 -44.49 93.68 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.52 -34.82 70.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 54' ' ' ALA . 42.2 t -60.66 -53.05 54.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.65 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.493 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.8 t -58.3 -38.03 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 121.256 0.55 . . . . 0.0 110.881 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 27.7 t70 -67.81 -50.75 55.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.254 0.549 . . . . 0.0 110.743 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 79.1 t90 -62.48 -43.8 97.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.559 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 7.6 pt-20 -63.77 -38.27 90.46 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.047 -175.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.8 m -67.24 -31.39 71.71 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 31.9 mtt180 -67.66 -42.9 81.47 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.079 0.466 . . . . 0.0 111.226 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 47.1 m-80 -100.31 -50.96 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.089 -169.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 6.9 mm-40 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 123.97 0.908 . . . . 0.0 112.62 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 82.1 m-85 -77.71 -24.01 49.31 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.011 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -53.12 -46.68 68.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.635 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.66 -53.19 21.42 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.373 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.2 mptp? -55.71 -50.08 71.29 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.145 0.472 . . . . 0.0 112.138 -176.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.611 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 74.4 t -57.4 -40.58 75.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.264 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HG3' ' HE3' ' A' ' 29' ' ' MET . 56.4 mtpt -72.41 -13.44 61.46 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 42.5 mt-10 -90.61 -37.93 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.191 0.52 . . . . 0.0 110.04 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.62 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.9 tp60 -80.28 -37.54 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.273 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CH2' HD21 ' A' ' 39' ' ' LEU . 10.7 m-90 -105.57 -60.77 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.027 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.58 -27.67 4.15 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 119.986 -1.102 . . . . 0.0 113.453 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -69.72 -21.65 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 175.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 42' ' ' LYS . 55.1 mt -88.23 137.94 31.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.809 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.694 ' O ' ' HG2' ' A' ' 29' ' ' MET . 73.1 p -113.42 174.24 6.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 -174.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.97 -36.46 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -55.24 -51.35 66.88 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 174.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.661 ' O ' HG13 ' A' ' 32' ' ' ILE . 9.4 m-20 -60.58 -47.5 85.94 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.707 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.694 ' HG2' ' O ' ' A' ' 25' ' ' THR . 38.0 mmm -60.0 -36.68 77.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.803 -176.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.3 m -59.61 -31.11 69.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.316 0.579 . . . . 0.0 110.361 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -89.16 -20.52 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.427 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.4 mt -86.87 -68.8 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.821 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 17.0 tt0 63.82 -60.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.39 0.07 OUTLIER Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.952 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 66.6 mmtt -97.82 118.46 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.34 -38.87 85.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.387 0.613 . . . . 0.0 109.905 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.652 ' O ' HG13 ' A' ' 40' ' ' VAL . 25.2 t70 -72.18 -36.57 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.228 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.952 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 25.5 mm-40 -61.39 -47.92 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.639 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.773 HD21 ' CH2' ' A' ' 21' ' ' TRP . 32.6 tp -64.72 -41.82 95.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -59.75 -40.13 81.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 110.24 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -74.93 -40.61 35.24 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.638 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 28.2 mmtt -64.59 -37.36 87.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -58.4 -49.49 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.907 0.384 . . . . 0.0 110.028 172.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.23 -28.85 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.271 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 48.8 mt-10 -80.06 -50.81 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . 20.5 mmt180 -73.48 -44.05 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -172.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -90.99 -44.43 9.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.296 0.569 . . . . 0.0 110.617 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.77 57.57 1.03 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.975 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.467 ' HD2' HG23 ' A' ' 43' ' ' ILE . 13.9 m-85 -108.95 179.56 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.405 0.621 . . . . 0.0 111.52 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.45 155.39 18.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.85 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.22 -25.72 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 110.082 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 32.7 t70 -56.48 -60.71 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 176.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.769 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -46.96 87.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.234 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' HG2' HG21 ' A' ' 40' ' ' VAL . 28.5 mt-10 -64.2 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.946 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 50.7 mtpt -59.75 -42.62 93.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -73.53 -40.11 64.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.241 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.578 HG21 ' HG ' ' A' ' 39' ' ' LEU . 67.8 t -60.51 -54.8 30.16 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.93 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.38 -37.55 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 13.9 t70 -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.519 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 90.6 t90 -65.5 -40.64 93.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -42.95 82.18 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.6 m -73.92 -22.98 59.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.456 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.8 mtt180 -70.0 -42.54 72.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 111.131 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -96.97 -48.32 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.147 0.499 . . . . 0.0 110.226 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.473 0.686 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.18 174.685 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.691 0.282 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -80.72 -11.85 59.56 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.829 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.677 ' HG2' ' HB3' ' A' ' 29' ' ' MET . 36.6 mtmt -60.0 -44.84 94.28 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 166.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.16 39.33 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.042 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.75 -50.12 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.728 HG12 ' CE3' ' A' ' 21' ' ' TRP . 77.9 t -61.98 -37.12 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.653 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.1 mtpt -71.34 -14.97 62.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -84.93 -41.51 15.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.029 0.443 . . . . 0.0 110.459 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.616 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 4.2 tp60 -76.77 -43.84 35.35 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.331 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.778 ' CH2' HD21 ' A' ' 39' ' ' LEU . 18.6 m-90 -102.46 -75.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.3 34.24 Favored Glycine 0 CA--C 1.51 -0.262 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.111 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.6 tmtm? -70.58 -24.59 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 110.058 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 ' HG2' ' A' ' 46' ' ' ARG . 77.1 mt -80.75 136.63 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.46 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -108.44 -175.52 2.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.03 -40.52 85.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.331 -173.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.763 ' O ' HG13 ' A' ' 31' ' ' ILE . 16.7 t70 -55.75 -50.81 69.4 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.3 175.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.597 ' O ' HG13 ' A' ' 32' ' ' ILE . 12.3 m-20 -60.08 -49.18 78.66 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.468 0.652 . . . . 0.0 109.927 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.677 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 1.4 mmt -61.93 -36.54 81.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.858 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.604 HG22 ' O ' ' A' ' 27' ' ' ASP . 6.1 t -72.6 -24.11 61.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.111 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.763 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.3 mt -79.23 -34.14 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.601 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 29.5 mt -81.86 -65.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.491 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER 58.25 -52.01 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.25 1.42 . . . . 0.0 112.174 -171.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.82 20.82 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 84.1 mttt -79.6 130.43 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.722 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -59.63 4.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.818 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.76 -35.64 66.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.621 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.715 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.7 mm-40 -68.85 -42.04 77.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.54 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.778 HD21 ' CH2' ' A' ' 21' ' ' TRP . 19.9 tp -69.13 -44.42 72.39 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.098 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG21 HG22 ' A' ' 58' ' ' VAL . 93.4 t -55.33 -51.26 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.9 -50.22 67.7 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.19 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HG3' HD13 ' A' ' 32' ' ' ILE . 34.5 mmtt -59.26 -41.97 90.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 39' ' ' LEU . 98.2 mt -56.81 -48.87 80.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 110.705 174.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.267 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 57.8 mt-10 -86.72 -49.1 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.876 -174.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HG2' HD21 ' A' ' 24' ' ' LEU . 1.1 tpt85 -66.37 -47.6 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.678 0.275 . . . . 0.0 111.385 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.9 m-85 -82.39 -45.57 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.0 110.467 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.96 3.2 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.838 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.18 172.58 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.56 160.77 14.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.525 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.33 -32.34 68.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.101 0.476 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.02 -54.96 40.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.435 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.6 -33.99 73.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.555 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.02 -47.19 75.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.273 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.92 -28.0 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -59.52 -49.33 78.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 110.05 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.94 -41.39 97.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.576 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG22 HG21 ' A' ' 40' ' ' VAL . 78.4 t -60.8 -60.24 2.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.379 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.03 -39.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.187 0.305 . . . . 0.0 111.806 -173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.738 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 12.4 t70 -64.6 -59.44 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.306 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.516 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.7 t90 -58.34 -37.65 75.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.33 0.586 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.69 -46.74 88.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.078 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.55 HG21 ' O ' ' A' ' 60' ' ' ASP . 4.0 t -74.74 -18.57 60.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 110.96 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.738 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 34.3 mmt180 -70.66 -42.63 70.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.309 0.576 . . . . 0.0 110.38 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -102.93 -61.87 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -171.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.682 0.793 . . . . 0.0 112.716 176.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 91.6 m-85 -83.25 -9.25 59.23 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.586 -174.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -58.22 -48.15 81.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 167.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.15 -48.12 16.17 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.428 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.4 mptp? -60.9 -43.46 98.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.643 ' HB ' ' HE3' ' A' ' 29' ' ' MET . 61.6 t -70.52 -30.35 42.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.416 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.756 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 52.4 mtpt -71.54 -20.95 61.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.462 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -72.79 -46.74 51.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 0.0 110.28 176.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -42.31 29.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.613 ' HA ' ' HH ' ' A' ' 47' ' ' TYR . 12.8 m-90 -120.25 87.74 2.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.7 30.77 2.52 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.838 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.2 tttt -117.42 -21.69 8.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.584 -0.363 . . . . 0.0 111.111 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 46' ' ' ARG . 69.8 mt -70.38 137.94 50.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.596 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.3 p -94.66 171.74 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.04 -39.1 77.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.709 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -61.01 -47.46 86.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.597 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.603 ' O ' HG13 ' A' ' 32' ' ' ILE . 73.5 m-20 -58.76 -48.83 79.88 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.098 0.475 . . . . 0.0 110.018 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.756 ' HE1' ' HG3' ' A' ' 18' ' ' LYS . 23.3 mmt -57.13 -40.72 77.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.6 m -69.6 -25.71 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.709 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.9 mt -81.56 -24.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.442 . . . . 0.0 110.051 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.64 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.175 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 15.1 tt0 67.48 -59.91 0.39 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.06 0.85 . . . . 0.0 111.648 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.97 21.52 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 62.1 mttp -88.56 132.52 34.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.135 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -48.98 72.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.831 -172.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.46 -33.71 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.126 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 19.7 mm-40 -62.13 -45.48 93.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.276 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.15 -46.41 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.894 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.0 t -54.87 -46.43 75.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.376 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.33 86.61 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.025 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HG3' HD12 ' A' ' 32' ' ' ILE . 45.2 mmtt -59.59 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 39' ' ' LEU . 75.5 mt -56.11 -48.26 79.33 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.131 0.491 . . . . 0.0 110.535 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -64.71 -26.96 68.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.348 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -101.4 -41.98 6.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.651 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -67.77 -49.92 59.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 110.747 -176.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HH ' ' HA ' ' A' ' 21' ' ' TRP . 84.3 m-85 -87.28 -45.3 10.74 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.753 0.787 . . . . 0.0 109.922 174.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 105.9 26.2 6.18 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.251 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.0 m-85 -74.15 159.71 32.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.0 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -76.27 163.03 27.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.308 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 23.1 ttpp -66.25 -24.91 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -56.66 -60.37 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.182 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -63.31 -41.7 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.635 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.504 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -57.87 -48.48 79.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.599 -176.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 59' ' ' VAL . 33.6 mt-10 -71.74 -33.96 69.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.145 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.66 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 110.792 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.3 -32.0 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 54' ' ' ALA . 41.2 t -63.8 -47.84 89.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.979 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 93.9 t -60.1 -42.24 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.323 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.8 t70 -62.74 -54.36 40.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.131 0.491 . . . . 0.0 110.663 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.58 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.716 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 9.2 tp10 -49.12 -65.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.07 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 m -64.53 -23.22 67.2 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.03 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 94.2 mtt-85 -68.88 -39.89 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.5 m-80 -102.2 -57.19 2.11 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.876 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.8 mm-40 . . . . . 0 N--CA 1.472 0.627 0 O-C-N 124.241 0.963 . . . . 0.0 111.068 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' O ' HG21 ' A' ' 17' ' ' VAL . 7.1 t80 -74.48 -39.4 62.49 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.255 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.76 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 50.5 mtmt -54.37 -42.78 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.748 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -61.52 -37.96 95.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.495 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HG3' ' HZ2' ' A' ' 61' ' ' TRP . 50.5 tptt -66.18 -42.14 89.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.765 HG22 ' CH2' ' A' ' 61' ' ' TRP . 12.8 t -66.79 -34.82 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.922 0.392 . . . . 0.0 110.3 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HB3' ' HZ3' ' A' ' 18' ' ' LYS . 9.2 mtpm? -71.58 -21.4 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.4 mt-10 -71.54 -35.92 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.751 172.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.33 -60.19 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.921 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.568 ' HE3' ' HH ' ' A' ' 47' ' ' TYR . 3.6 m95 -122.46 98.18 5.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.829 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.47 5.44 28.92 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.066 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.4 tmtp? -90.81 -19.39 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 110.614 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' HG2' ' A' ' 46' ' ' ARG . 18.5 mt -75.46 149.45 38.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.456 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 34.1 p -108.6 -176.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.31 -44.08 59.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.737 ' O ' HG12 ' A' ' 31' ' ' ILE . 4.8 t70 -54.37 -40.55 68.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.394 0.616 . . . . 0.0 110.227 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.634 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 3.1 t70 -58.62 -54.38 47.75 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.176 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.76 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 12.8 ttm -84.36 -15.43 46.45 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.433 -168.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -70.74 -36.06 72.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 109.76 169.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG12 ' O ' ' A' ' 27' ' ' ASP . 33.7 mm -71.82 -30.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.777 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.67 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 36.9 mt -76.69 -64.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.247 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 66.75 -58.31 0.39 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.634 0.773 . . . . 0.0 111.535 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.13 30.03 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.749 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.786 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 55.9 mmtt -96.55 128.65 43.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -63.73 -45.63 89.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.23 -37.98 82.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.577 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.786 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 29.5 mm-40 -65.52 -46.77 78.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.102 -176.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 33.8 tp -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.339 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 89.2 t -52.02 -50.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.22 -48.07 85.34 Favored Glycine 0 CA--C 1.52 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.952 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.634 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 44.9 mmtt -58.75 -45.65 89.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.883 0.342 . . . . 0.0 111.572 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' HD2' ' A' ' 49' ' ' TYR . 77.4 mt -55.77 -42.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.604 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.5 mt-30 -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -84.19 -41.61 16.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 111.626 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.621 HH21 ' HB2' ' A' ' 28' ' ' ASP . 2.8 mpt_? -80.55 -45.15 17.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.52 -169.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.5 m-85 -94.71 -34.38 12.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.34 0.59 . . . . 0.0 110.35 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 91.37 42.38 4.9 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.305 -175.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.526 ' HD2' HG21 ' A' ' 43' ' ' ILE . 18.6 m-85 -82.99 161.93 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.143 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -73.98 147.18 43.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.383 171.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.0 ttpp -56.66 -32.53 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 110.04 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.21 -53.0 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.669 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -72.61 -34.58 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.595 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.81 -46.98 88.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 43.4 mt-10 -61.58 -39.27 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.06 -54.3 46.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.75 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -65.86 -33.06 74.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.774 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 54' ' ' ALA . 52.5 t -64.53 -57.06 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.792 176.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.26 -41.26 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.624 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 17.2 t70 -58.93 -64.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.276 0.56 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.765 ' CH2' HG22 ' A' ' 17' ' ' VAL . 86.7 t90 -65.98 -33.23 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.57 -55.45 29.23 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.643 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 m -62.23 -26.41 68.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.322 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 21.1 mmt180 -61.69 -42.68 99.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.848 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.1 m-80 -104.22 -45.09 4.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.046 -170.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 123.669 0.788 . . . . 0.0 113.001 166.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.665 0.269 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -84.79 -29.12 25.68 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.938 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 34.4 ttpt -57.29 -35.11 69.39 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.18 -49.66 38.58 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.548 173.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.16 -42.45 96.74 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.522 HG12 ' CE3' ' A' ' 21' ' ' TRP . 99.3 t -59.74 -38.31 75.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 174.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 58.5 mtpt -73.97 -13.52 60.89 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.642 0.258 . . . . 0.0 111.353 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 52.2 mt-10 -83.5 -37.5 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.522 ' CE3' HG12 ' A' ' 17' ' ' VAL . 20.9 m-90 -94.69 -76.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.223 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.83 -19.66 36.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.736 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' ' HG3' ' A' ' 46' ' ' ARG . 4.1 tmtp? -70.82 -20.78 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.405 0.621 . . . . 0.0 109.82 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD21 ' HG2' ' A' ' 46' ' ' ARG . 86.4 mt -81.09 146.81 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.046 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 p -105.21 -173.12 2.23 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.31 -44.53 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.656 ' O ' HG13 ' A' ' 31' ' ' ILE . 21.7 t70 -66.11 -41.6 90.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.509 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 32' ' ' ILE . 19.9 m-20 -59.69 -52.43 65.52 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.476 0.655 . . . . 0.0 109.619 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.938 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 7.7 ttm -67.33 -32.43 73.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.049 -175.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m -62.92 -31.02 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.609 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.7 mt -74.38 -27.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.553 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -82.33 -77.31 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.644 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 66.08 -59.73 0.31 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.996 0.918 . . . . 0.0 112.032 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.45 -7.68 0.25 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.332 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 33.1 mmtp -70.77 113.35 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.0 111.296 -175.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -51.91 -49.02 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.869 173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -54.08 -48.74 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.238 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.73 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.3 mm-40 -62.59 -40.15 95.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 HD23 HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.66 -36.58 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.107 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -59.18 -47.73 89.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -47.24 91.49 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.182 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HG3' HD13 ' A' ' 32' ' ' ILE . 55.6 mmtt -62.84 -45.76 91.1 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.423 HD12 ' CZ2' ' A' ' 21' ' ' TRP . 96.3 mt -56.08 -48.2 79.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.792 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.8 mt-30 -57.52 -45.94 84.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.48 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.92 -27.51 17.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -169.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG3' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -76.38 -42.91 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.747 -178.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.434 ' HH ' ' HA ' ' A' ' 21' ' ' TRP . 71.4 m-85 -88.17 -46.41 9.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.522 0.677 . . . . 0.0 111.148 176.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.8 55.27 0.66 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.682 -170.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -112.68 169.74 8.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.181 0.515 . . . . 0.0 111.319 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -82.9 162.09 21.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.837 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 22.9 ttpp -59.98 -34.35 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.202 0.525 . . . . 0.0 110.057 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.09 -53.85 53.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.41 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.34 -41.42 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.901 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -66.61 -47.75 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.058 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 48.8 mt-10 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.011 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.92 -38.82 89.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.628 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -36.98 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -61.37 -48.22 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.461 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.57 -42.78 92.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.359 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.8 t70 -66.27 -49.98 65.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.764 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -64.59 -34.64 78.72 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.499 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -55.07 -49.32 71.94 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 60' ' ' ASP . 4.7 t -73.39 -19.6 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.451 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 74.8 mtt180 -71.44 -44.53 64.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.388 . . . . 0.0 111.217 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -104.56 -56.26 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.47 0.555 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.524 174.66 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.245 0.545 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -73.26 -35.93 66.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.566 -169.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.641 ' HG3' ' HB3' ' A' ' 29' ' ' MET . 38.8 ttpt -50.94 -38.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.45 0.643 . . . . 0.0 109.772 173.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -65.4 -40.7 96.53 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.688 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -65.68 -36.74 84.51 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.91 0.355 . . . . 0.0 111.512 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' CH2' ' A' ' 61' ' ' TRP . 4.1 t -68.74 -37.58 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.411 0.624 . . . . 0.0 109.463 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.21 -22.78 60.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.18 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 49.1 mt-10 -71.18 -36.31 71.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.8 -62.56 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.386 0.612 . . . . 0.0 109.591 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.615 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -106.16 89.5 3.08 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.602 -178.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.17 54.75 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.744 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mttp -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.249 0.524 . . . . 0.0 111.339 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 42' ' ' LYS . 34.1 mt -71.51 122.19 20.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.458 -175.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 29' ' ' MET . 61.3 p -97.11 176.9 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.064 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.96 -35.65 75.41 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.657 ' O ' HG13 ' A' ' 31' ' ' ILE . 12.0 t70 -59.7 -46.96 87.51 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.751 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 16.5 m-20 -59.88 -49.54 77.31 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.31 0.576 . . . . 0.0 109.716 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.641 ' HB3' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -56.46 -39.61 73.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.818 -177.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.9 m -68.86 -36.24 77.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.615 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.657 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.9 mt -72.26 -36.26 55.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.248 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 28' ' ' ASP . 51.3 mt -68.74 -59.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 67.59 -58.51 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 124.242 0.964 . . . . 0.0 111.835 176.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.78 31.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 1.01 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 34.3 mmtp -103.27 129.4 50.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.654 0.264 . . . . 0.0 110.901 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -65.97 -46.17 79.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.877 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.67 -40.16 96.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.98 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 1.01 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.04 -40.59 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.581 -177.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.635 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.1 tp -66.26 -42.91 87.84 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.972 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 77.5 t -52.92 -47.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.17 -54.96 32.98 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.057 175.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 48.2 mmtt -59.3 -38.1 79.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.635 HG13 ' O ' ' A' ' 39' ' ' LEU . 79.7 mt -59.88 -47.41 91.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.521 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.567 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 21.1 mt-30 -75.91 -20.56 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.637 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 46.6 mt-10 -95.23 -39.42 10.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.438 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -74.85 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.652 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.8 m-85 -94.22 -45.14 7.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.431 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.63 48.86 1.74 Allowed Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.856 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 42.5 m-85 -86.85 165.63 15.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -79.12 155.2 28.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.543 174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 10.0 tmtt? -60.81 -29.15 69.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.034 0.445 . . . . 0.0 110.399 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.63 -53.39 58.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -73.92 -33.78 64.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.528 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.83 -47.4 84.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' CD ' ' HZ3' ' A' ' 51' ' ' LYS . 64.2 mm-40 -54.76 -55.39 30.58 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.86 -40.38 88.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.88 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.583 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 33.9 mm-40 -66.7 -42.33 86.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.109 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 54' ' ' ALA . 78.8 t -63.95 -57.8 10.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.02 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.41 -43.69 78.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 30.5 t70 -63.55 -57.41 10.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.929 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.612 ' CH2' HG22 ' A' ' 17' ' ' VAL . 91.3 t90 -63.33 -39.83 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.89 -61.04 2.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.059 177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.54 -16.09 62.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.682 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 86.6 mtt-85 -72.66 -30.64 64.45 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.158 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.4 m-80 -102.52 -58.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.297 -174.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.0 mm-40 . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 123.301 0.64 . . . . 0.0 112.501 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 . . . . . 0 C--O 1.233 0.206 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 68.4 m-85 -81.5 -22.88 37.71 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.833 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 22.2 ttmm -55.88 -43.0 76.78 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 171.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.17 -44.94 21.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.612 176.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 3.8 mptp? -61.09 -46.16 91.75 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.9 0.35 . . . . 0.0 111.897 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 84.4 t -62.59 -42.91 97.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.494 177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 16.8 mtpt -68.82 -12.69 61.8 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 46.0 mt-10 -76.58 -44.38 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 110.203 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.31 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.803 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -119.99 98.59 6.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.744 -178.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.2 12.66 63.78 Favored Glycine 0 C--N 1.317 -0.511 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.791 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 tttt -87.09 -37.39 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.824 0.812 . . . . 0.0 110.247 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 47.6 mt -59.69 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.02 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -98.57 -177.1 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.81 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.8 -44.22 90.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.521 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.592 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -54.99 -47.84 74.08 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.659 ' O ' HG13 ' A' ' 32' ' ' ILE . 21.5 m-20 -60.06 -53.61 55.72 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.833 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 mtm -73.11 -16.39 61.46 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.8 -175.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m -66.54 -37.36 84.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.7 mt -78.03 -30.54 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.921 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.664 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 41.2 mt -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.147 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 66.03 -58.25 0.34 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.721 0.638 . . . . 0.0 111.156 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.39 29.81 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 21.8 mmtp -92.26 126.76 37.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -62.71 -43.19 99.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.27 -39.25 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.414 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.644 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 50.1 mm-40 -65.65 -49.95 66.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.054 -175.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.7 tp -65.56 -38.97 91.1 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.672 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 68.5 t -55.45 -50.82 63.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.819 0.342 . . . . 0.0 110.154 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -65.13 -45.11 92.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.396 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HG3' HD12 ' A' ' 32' ' ' ILE . 42.5 mmtt -60.13 -45.42 93.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.8 mt -59.3 -41.88 85.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.954 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 72.8 mt-30 -61.74 -43.58 98.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.12 0.485 . . . . 0.0 111.044 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 44.8 mt-10 -80.3 -53.16 6.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.561 -172.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.8 tpt180 -66.67 -44.5 81.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 110.817 -173.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.803 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 25.4 m-85 -95.59 -16.48 22.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.338 -171.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.72 40.83 10.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.007 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.2 m-85 -98.55 165.81 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.99 0.424 . . . . 0.0 110.526 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.87 161.73 13.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 19.2 ttpp -52.95 -38.31 61.89 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.422 0.451 . . . . 0.0 110.755 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.5 -60.83 2.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.652 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 38.2 tt0 -71.41 -32.94 68.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.741 -174.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -64.43 -47.19 80.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.313 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' HG21 ' A' ' 59' ' ' VAL . 46.3 mt-10 -65.34 -32.12 73.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.652 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 86.5 mttt -59.49 -47.65 84.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -65.41 -34.62 78.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 54' ' ' ALA . 85.8 t -66.38 -46.82 85.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 55' ' ' GLU . 70.6 t -62.54 -40.93 90.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.694 0.283 . . . . 0.0 111.601 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 13.9 t70 -66.38 -52.07 50.54 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.4 ' CZ2' HG21 ' A' ' 17' ' ' VAL . 86.1 t90 -60.45 -38.97 85.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.94 -58.44 5.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.133 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -64.59 -23.16 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 29.4 mmt180 -63.41 -42.81 98.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.29 0.567 . . . . 0.0 110.141 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.63 -71.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.86 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 124.113 0.965 . . . . 0.0 111.828 177.684 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 77.7 m-85 -85.35 -24.42 27.61 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.996 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HG3' ' HG2' ' A' ' 29' ' ' MET . 34.7 ttpt -59.62 -38.76 82.17 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 170.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -72.02 -51.67 13.72 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.129 174.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 13.6 mptt -54.01 -52.46 60.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.708 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 59.7 t -56.43 -43.68 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.033 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -72.83 -16.06 61.61 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.8 mt-10 -74.74 -29.84 61.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -57.08 3.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.736 ' HZ2' ' HG3' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -121.47 96.0 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.252 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.11 -6.05 72.91 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 113.993 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.688 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 13.5 mmtt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.032 0.416 . . . . 0.0 111.741 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' HG2' ' A' ' 46' ' ' ARG . 66.2 mt -62.38 150.89 38.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.918 -178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 p -121.06 -175.32 3.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.355 -172.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.37 -33.46 73.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.029 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.17 -37.97 75.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.734 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 28.2 m-20 -67.89 -51.3 49.63 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 122.031 0.92 . . . . 0.0 109.163 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.708 ' HE1' ' HB ' ' A' ' 17' ' ' VAL . 58.2 tpp -60.66 -42.15 96.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.659 -1.61 . . . . 0.0 112.174 -171.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -62.85 -24.15 67.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.233 0.54 . . . . 0.0 110.855 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.54 -30.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.213 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.584 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 19.6 mt -85.68 -71.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.437 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.9 pp20? 50.26 -57.89 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.311 1.445 . . . . 0.0 113.443 -166.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 62.73 0.32 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.267 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.9 mptt -132.17 124.96 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.369 -0.489 . . . . 0.0 110.255 173.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 tmt_? -60.37 -39.67 88.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.63 -45.16 88.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.829 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 32.9 mm-40 -65.95 -41.98 90.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.006 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 43' ' ' ILE . 26.8 tp -66.76 -39.92 88.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.469 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 63.1 t -54.95 -50.61 60.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.178 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -48.61 85.37 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.118 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 24.6 mmtt -59.77 -42.45 93.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.7 mt -58.63 -40.47 79.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.798 177.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 65.7 mt-30 -66.81 -31.33 71.89 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -89.75 -36.74 15.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.498 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -78.46 -57.27 3.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.864 -174.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.688 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.4 m-85 -84.34 -46.14 12.06 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 110.882 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 112.25 25.87 4.54 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.497 -177.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.12 171.49 14.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.322 0.582 . . . . 0.0 111.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -88.55 165.28 14.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.635 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -57.59 -42.71 83.74 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.367 0.417 . . . . 0.0 111.086 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.92 -52.96 63.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.0 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -64.31 -38.64 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.669 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.531 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -63.97 -47.07 81.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.843 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.6 -37.95 74.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.16 0.288 . . . . 0.0 111.087 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.883 ' HB3' ' HZ1' ' A' ' 56' ' ' LYS . 9.7 mtpm? -58.1 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.371 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 23.7 mm-40 -73.31 -27.6 61.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.312 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG22 ' HG ' ' A' ' 39' ' ' LEU . 73.0 t -68.49 -59.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.566 177.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.23 -33.65 51.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.3 t0 -62.29 -62.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.277 177.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.536 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.3 t90 -58.46 -41.48 85.28 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.591 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.43 -50.84 64.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.496 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -68.14 -28.07 66.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.985 0.421 . . . . 0.0 111.376 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mtt180 -67.42 -42.45 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 111.231 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 36.1 m-80 -102.72 -35.41 8.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.921 -172.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 10.2 mm-40 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 123.564 0.746 . . . . 0.0 112.331 171.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -82.6 -22.59 34.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.998 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.16 -45.92 89.73 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.658 -0.817 . . . . 0.0 108.844 169.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.23 -33.85 52.87 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 40.3 tptt -68.51 -49.55 58.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.608 HG11 ' HE3' ' A' ' 21' ' ' TRP . 83.0 t -60.68 -34.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.133 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 93.8 mttt -75.74 -13.16 60.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.8 0.334 . . . . 0.0 111.497 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.54 -47.09 9.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.43 0.633 . . . . 0.0 109.864 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 21' ' ' TRP . 4.0 tp60 -76.31 -37.61 57.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.608 ' HE3' HG11 ' A' ' 17' ' ' VAL . 9.9 m-90 -113.75 -74.62 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.527 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 80.34 -14.99 19.85 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.84 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 1.012 ' HG2' ' HB3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -72.85 -14.09 61.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.299 0.571 . . . . 0.0 109.639 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 42' ' ' LYS . 20.4 mt -89.17 151.81 21.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.921 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 29' ' ' MET . 41.6 p -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.925 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -37.01 77.52 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -169.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.3 t70 -60.51 -41.57 94.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.252 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.599 ' O ' HG13 ' A' ' 32' ' ' ILE . 66.7 m-20 -61.94 -49.6 75.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.351 0.596 . . . . 0.0 109.549 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 25' ' ' THR . 29.8 mmm -55.41 -35.97 65.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.393 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.4 m -68.87 -29.27 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.168 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -85.93 -22.0 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 28' ' ' ASP . 57.5 mt -86.43 -62.33 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.451 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.58 -57.95 0.31 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.87 0.731 . . . . 0.0 111.206 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.22 18.89 0.03 OUTLIER Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.2 125.82 30.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.813 0.339 . . . . 0.0 110.124 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.522 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -59.64 -48.97 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.216 -176.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.67 -31.85 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -63.58 -46.46 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.661 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.55 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -65.27 -39.36 92.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 72.4 t -54.17 -52.71 35.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 110.374 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.81 -44.44 95.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.229 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HB3' HD23 ' A' ' 24' ' ' LEU . 52.1 mmtt -65.29 -38.58 90.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.53 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 90.8 mt -62.75 -38.16 80.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.2 mt-30 -68.75 -20.2 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 31.5 mt-10 -90.89 -49.75 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.285 0.564 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 1.012 ' HB3' ' HG2' ' A' ' 23' ' ' LYS . 15.7 mmt180 -71.78 -55.87 6.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.175 -172.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 95.9 m-85 -89.71 -45.46 9.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.364 0.602 . . . . 0.0 109.637 176.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.17 41.17 2.66 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.535 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 76.2 m-85 -85.63 161.13 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -72.84 153.99 40.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -51.9 -42.93 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.316 0.385 . . . . 0.0 111.683 -175.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.96 -48.37 75.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.398 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 53.7 tt0 -76.03 -32.65 59.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.18 -45.96 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.204 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.93 -35.81 75.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.81 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 59.8 tttp -59.58 -43.61 93.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.924 0.392 . . . . 0.0 110.325 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 21' ' ' TRP . 1.4 mm-40 -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.779 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG11 ' HG2' ' A' ' 36' ' ' ARG . 86.9 t -62.38 -47.84 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.66 -35.74 75.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.073 0.463 . . . . 0.0 110.731 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.75 -53.95 49.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.807 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -61.47 -40.58 95.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.791 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.05 -52.11 64.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 m -65.05 -29.67 70.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.27 -39.81 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.836 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.8 m-80 -98.76 -56.49 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.256 -174.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 42.3 mm-40 . . . . . 0 N--CA 1.475 0.819 0 O-C-N 124.508 1.13 . . . . 0.0 112.309 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -87.32 -18.01 31.11 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 170.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.53 -47.73 11.86 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.168 175.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -60.85 -43.75 97.92 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.23 -46.59 81.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.354 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 59.7 mttm -64.87 -24.79 67.64 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -68.0 -29.89 69.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.04 0.448 . . . . 0.0 110.334 176.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -63.25 1.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.625 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -121.08 96.1 4.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.997 179.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . -76.43 -10.54 85.6 Favored Glycine 0 C--N 1.319 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.693 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.37 -24.26 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.973 0.387 . . . . 0.0 110.982 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD21 ' OD2' ' A' ' 28' ' ' ASP . 14.5 mt -67.89 156.84 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.36 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -127.33 -167.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 111.744 -168.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.83 -42.12 41.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.429 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.5 p-10 -68.14 -15.15 63.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.321 0.581 . . . . 0.0 110.229 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.802 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 11.1 t70 -75.08 -53.57 8.64 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 122.463 1.125 . . . . 0.0 109.078 173.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpp -75.2 -26.26 58.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 113.12 -1.855 . . . . 0.0 112.436 -168.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -69.19 -26.05 64.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.377 0.608 . . . . 0.0 110.033 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 27' ' ' ASP . 22.6 mm -83.67 -35.18 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.755 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 38.8 mt -90.06 -81.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.346 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER 54.2 -47.95 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.599 1.56 . . . . 0.0 113.896 -173.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.77 33.4 0.97 Allowed Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.681 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 67.5 mmtt -108.17 114.52 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.43 . . . . 0.0 110.456 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -65.42 -51.8 57.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.407 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.89 -35.8 77.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.043 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.681 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 13.2 mm-40 -64.45 -33.06 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.56 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 32' ' ' ILE . 46.1 tp -68.58 -40.44 80.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.809 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 87.6 t -54.16 -50.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.05 -49.63 73.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.79 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 40.7 mmtt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.956 0.378 . . . . 0.0 111.943 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.78 -45.15 91.45 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.982 0.42 . . . . 0.0 110.661 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 25.3 mt-30 -63.06 -23.71 67.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -91.55 -47.04 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.388 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.545 HH21 ' HB2' ' A' ' 28' ' ' ASP . 1.1 mpt_? -73.75 -46.31 46.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.95 -174.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.75 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.8 m-85 -94.07 -35.71 12.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.493 0.663 . . . . 0.0 110.413 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 89.16 59.19 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.239 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -104.45 169.31 8.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 0.0 111.104 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -84.94 156.52 21.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 13.3 ttpt -60.85 -27.53 68.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 110.074 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.0 -60.25 3.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.793 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 43.6 tt0 -68.83 -40.31 79.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.141 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -56.88 -47.32 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.841 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' ' HE3' ' A' ' 51' ' ' LYS . 33.4 mt-10 -65.07 -42.05 94.53 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.66 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 24.9 mm-40 -65.69 -40.92 92.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 54' ' ' ALA . 72.8 t -63.23 -51.02 76.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 55' ' ' GLU . 96.8 t -59.04 -39.22 77.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.622 0.249 . . . . 0.0 111.427 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 23.0 t70 -60.55 -57.7 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.97 -40.67 94.27 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.76 -50.06 74.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 m -67.87 -24.34 65.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.1 mtt-85 -69.57 -42.01 75.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.078 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -102.24 -58.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.666 -173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.475 0.816 0 C-N-CA 123.841 0.856 . . . . 0.0 112.53 176.459 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.483 0.182 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 23.5 m-85 -85.33 -29.58 24.38 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 1.08 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 53.3 mtpt -59.23 -41.37 88.5 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.73 -35.94 74.44 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.965 173.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 8.1 tptp -66.29 -47.29 74.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.796 0.298 . . . . 0.0 111.639 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.675 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 16.7 t -67.44 -27.82 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.235 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HG3' ' HE2' ' A' ' 29' ' ' MET . 60.6 mtpt -73.92 -25.83 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.341 176.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.3 mt-10 -66.95 -45.44 77.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -57.71 -62.52 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.166 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.792 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -115.27 -69.91 0.83 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.24 -12.5 64.37 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.079 174.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.3 tmtp? -73.24 -13.69 61.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD21 ' HG2' ' A' ' 46' ' ' ARG . 71.7 mt -76.86 -178.22 4.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.579 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 28' ' ' ASP . 25.3 p -136.44 173.17 11.99 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.294 -170.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.931 -177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -73.09 -41.57 63.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.755 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.583 ' O ' HG13 ' A' ' 32' ' ' ILE . 2.7 p30 -61.72 -43.34 99.04 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.112 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 1.08 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 28.0 ttm -79.28 -18.15 53.26 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.737 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.8 m -60.14 -32.27 70.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 109.355 167.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.5 mt -89.71 -31.03 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.334 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 28' ' ' ASP . 64.3 mt -73.81 -15.67 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -27.9 -59.06 0.11 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.432 1.082 . . . . 0.0 112.953 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.04 21.03 5.88 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.324 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.7 mmtp -115.38 99.58 7.49 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 111.382 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -37.96 80.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.399 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -43.34 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.048 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.522 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.7 mm-40 -65.68 -47.87 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.987 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.754 ' HG ' HG23 ' A' ' 58' ' ' VAL . 22.3 tp -60.84 -38.89 87.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.683 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.9 t -56.42 -53.03 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.438 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.13 -41.49 99.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.228 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' ' 28' ' ' ASP . 52.7 mmtt -65.12 -41.3 94.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.645 HG21 ' HD2' ' A' ' 49' ' ' TYR . 82.1 mt -63.57 -39.17 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.53 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 49.8 mt-30 -64.82 -24.89 67.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.191 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 49.6 mt-10 -93.17 -45.28 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.61 -44.44 57.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -173.212 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.605 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 91.3 m-85 -93.88 -39.49 10.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.438 0.637 . . . . 0.0 110.106 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.9 52.96 1.7 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.823 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.645 ' HD2' HG21 ' A' ' 43' ' ' ILE . 40.4 m-85 -98.07 175.39 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.272 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -92.25 167.06 12.28 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 62.2 tttp -57.69 -40.31 79.19 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.344 0.403 . . . . 0.0 110.546 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.61 -52.25 66.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.9 -45.96 86.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.689 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.77 -46.93 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 50.5 mt-10 -60.03 -40.77 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.992 -178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.93 -45.65 91.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.02 -39.98 83.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.792 0.33 . . . . 0.0 110.998 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.754 HG23 ' HG ' ' A' ' 39' ' ' LEU . 98.9 t -62.69 -49.62 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.364 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.74 -32.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.774 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.681 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 11.3 t70 -64.92 -54.5 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.455 ' CZ2' HG21 ' A' ' 17' ' ' VAL . 85.6 t90 -54.76 -39.98 68.9 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.336 0.589 . . . . 0.0 110.112 175.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -57.93 -40.47 80.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.466 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 60' ' ' ASP . 5.0 t -80.35 -20.03 45.08 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.982 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 25.4 mmt180 -74.99 -44.27 49.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.512 . . . . 0.0 111.011 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.2 m-80 -104.77 -40.65 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.311 -172.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 41.5 mt-10 . . . . . 0 N--CA 1.474 0.735 0 C-N-CA 123.894 0.878 . . . . 0.0 112.196 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.6 tp-100 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.419 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 21.1 m-85 -79.19 -21.66 46.05 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.617 ' O ' ' HE3' ' A' ' 29' ' ' MET . 22.7 ttmm -57.77 -45.43 85.96 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 168.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -66.06 -45.4 87.62 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.265 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 29.3 mmmt -58.27 -52.39 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 84.9 t -56.92 -35.43 47.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.7 mtpt -75.9 -28.68 58.17 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.689 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.9 mt-10 -70.74 -38.69 73.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -55.63 -61.16 2.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.449 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.767 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.19 10.54 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 119.975 -1.107 . . . . 0.0 114.748 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.868 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 8.7 mttt -69.86 -34.76 74.02 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 117.634 0.717 . . . . 0.0 110.849 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 49.8 mt -59.7 141.62 54.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.905 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.589 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 28.0 p -117.15 -175.1 2.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.164 -169.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -56.04 -36.73 68.34 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.832 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.7 t70 -59.05 -42.23 89.79 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.589 ' HB3' ' O ' ' A' ' 25' ' ' THR . 2.6 t70 -58.02 -62.23 1.97 Allowed 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.577 1.179 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.617 ' HE3' ' O ' ' A' ' 14' ' ' LYS . 4.0 mtp -61.54 -34.74 76.06 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 112.512 -2.131 . . . . 0.0 110.344 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.3 m -67.06 -32.36 73.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.539 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.832 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.9 mt -86.17 -35.11 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.757 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -66.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.636 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 64.83 -59.24 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.287 0.635 . . . . 0.0 112.534 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.03 43.17 0.11 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 121.104 -0.569 . . . . 0.0 111.779 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -122.68 128.8 51.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.725 HH21 ' HG2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -58.25 -51.23 70.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.43 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 11.8 t70 -63.16 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 -172.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.473 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 11.7 mm-40 -68.83 -45.41 71.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.492 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 43' ' ' ILE . 58.3 tp -64.68 -34.58 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.221 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.482 HG21 ' HE ' ' A' ' 36' ' ' ARG . 76.3 t -57.06 -46.92 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.25 -53.86 39.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.489 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 29.8 mmtt -67.08 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -175.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.601 HG21 ' HD2' ' A' ' 49' ' ' TYR . 67.4 mt -56.0 -38.47 53.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.044 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.4 mt-30 -63.96 -44.04 93.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.029 0.443 . . . . 0.0 110.26 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.68 -53.85 40.89 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.806 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.55 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.3 tpt180 -76.49 -43.57 39.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.782 -168.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.868 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 12.3 m-85 -95.75 -23.69 16.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.71 -170.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.53 25.4 25.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.541 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 43' ' ' ILE . 26.8 m-85 -85.8 163.87 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -90.0 161.63 15.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.183 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 21.0 ttpp -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.596 0.56 . . . . 0.0 111.006 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.73 -53.68 53.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.05 -43.25 88.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.429 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.02 -46.05 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.327 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.725 ' HG2' HH21 ' A' ' 36' ' ' ARG . 45.0 mt-10 -55.31 -48.69 73.74 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.22 -35.49 81.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.556 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.49 -37.51 65.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.281 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 54' ' ' ALA . 88.1 t -65.82 -46.3 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.111 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -36.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.425 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.2 t70 -63.27 -49.8 72.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.24 176.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -55.35 -45.77 76.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.735 0.779 . . . . 0.0 110.159 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -65.13 -37.32 87.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.612 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 t -81.31 -14.91 56.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.425 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 52.5 mtt180 -89.19 -42.17 11.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 0.0 111.099 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.408 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 34.4 m-80 -92.95 -47.6 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.254 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.473 0.68 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.334 169.096 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--O 1.233 0.193 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 49.6 m-85 -84.73 -11.33 56.04 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.409 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -60.08 -41.95 93.53 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 166.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -70.12 -47.36 45.85 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.927 175.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.1 mptp? -63.29 -46.76 85.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 91.3 t -64.2 -34.57 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.658 ' HG2' ' HE3' ' A' ' 29' ' ' MET . 11.5 mmmm -72.08 -28.97 63.66 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.032 -0.417 . . . . 0.0 111.072 176.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 51.7 mt-10 -65.24 -47.0 78.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.495 0.664 . . . . 0.0 109.324 170.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.605 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 33.1 tp60 -50.85 -60.74 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.792 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.824 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -122.95 -55.8 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.06 -28.29 6.76 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.234 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 7.3 mmtt -70.6 -6.86 39.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.247 0.546 . . . . 0.0 110.445 176.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.797 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 4.9 mt -74.27 -178.46 3.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.688 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 p -149.8 155.46 40.13 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.835 -0.166 . . . . 0.0 110.9 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.71 -35.37 30.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 30' ' ' THR . 8.9 t70 -58.29 -39.67 79.91 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.117 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.797 ' OD2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.41 -47.85 69.05 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -178.001 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.658 ' HE3' ' HG2' ' A' ' 18' ' ' LYS . 2.8 mtp -69.15 -29.1 67.05 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.158 -164.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' ASP . 9.1 t -68.69 -25.05 64.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.375 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -91.19 -38.81 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 176.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.74 -17.09 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -169.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -31.92 -48.44 0.16 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.25 45.32 1.03 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.418 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.75 96.5 3.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.7 -50.7 54.43 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.981 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.65 -40.62 79.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.625 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -69.36 -36.76 77.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.883 -174.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.17 -39.04 93.16 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.788 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -55.29 -51.62 54.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.363 175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.659 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 46.2 mmtt -69.6 -41.28 75.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.634 HG21 ' HD2' ' A' ' 49' ' ' TYR . 89.8 mt -61.75 -40.11 85.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.596 175.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.7 mt-30 -63.9 -27.13 68.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.299 0.571 . . . . 0.0 110.319 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.38 -54.34 5.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.017 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.542 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.9 mmp_? -65.72 -58.08 6.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.704 -173.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.6 m-85 -80.33 -46.4 16.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.081 0.467 . . . . 0.0 111.013 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.43 46.09 1.73 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.699 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.634 ' HD2' HG21 ' A' ' 43' ' ' ILE . 25.3 m-85 -91.16 169.79 10.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.982 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -85.32 155.35 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.178 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.21 -32.19 66.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.55 -56.12 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.428 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -69.24 -44.64 71.57 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.666 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.89 -46.52 81.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 mt-10 -65.09 -39.93 93.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.91 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.98 -40.78 90.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.7 t -63.56 -44.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.974 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 71.9 t -60.83 -39.54 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 122.487 0.315 . . . . 0.0 111.229 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 25.9 t70 -64.47 -54.0 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.605 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 91.3 t90 -56.42 -38.48 71.63 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 110.147 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 12.2 tt0 -52.2 -55.66 19.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.389 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.3 m -65.08 -29.7 70.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 30.0 mmt180 -64.71 -44.66 89.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.212 0.53 . . . . 0.0 110.71 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.474 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.1 m-80 -105.77 -49.52 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.273 -171.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.8 mm-40 . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 123.953 0.901 . . . . 0.0 112.193 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.467 0.651 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' VAL . 11.9 t80 -81.11 -44.26 18.2 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.557 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 39.4 ttpt -49.52 -49.69 44.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.189 176.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.4 77.63 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.822 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.66 ' HB3' ' HZ2' ' A' ' 61' ' ' TRP . 46.1 tttt -80.95 -28.87 35.52 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.658 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' CE3' ' A' ' 21' ' ' TRP . 47.8 t -68.17 -31.1 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.41 173.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.7 mtpt -73.59 -23.91 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.26 -47.22 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.883 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -63.04 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 17' ' ' VAL . 32.5 m-90 -83.76 -74.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.933 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.6 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 85.95 -21.93 13.8 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.936 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 9.6 mmtt -70.0 -21.36 63.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.112 0.482 . . . . 0.0 110.459 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.588 ' HB2' ' HE1' ' A' ' 29' ' ' MET . 71.6 mt -85.07 138.93 32.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.3 p -104.53 -176.49 3.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.364 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -42.01 82.98 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.694 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.2 t70 -51.74 -54.37 29.2 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.421 0.45 . . . . 0.0 110.668 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.63 ' O ' HG13 ' A' ' 32' ' ' ILE . 10.7 m-20 -59.61 -49.36 78.05 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.24 -175.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.588 ' HE1' ' HB2' ' A' ' 24' ' ' LEU . 62.7 mtt -72.36 -19.35 61.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.978 -173.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.8 m -77.3 -26.88 52.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.178 0.514 . . . . 0.0 109.78 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.694 HG13 ' O ' ' A' ' 27' ' ' ASP . 3.7 mt -78.0 -26.94 14.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.351 0.596 . . . . 0.0 109.429 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.17 -51.46 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.13 -175.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 3.7 tm-20 68.87 -58.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.86 0.725 . . . . 0.0 111.716 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.89 22.62 0.03 OUTLIER Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 59.5 mttp -88.65 127.59 35.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 0.0 110.419 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -65.2 -44.18 89.17 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.01 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.96 -43.29 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.168 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.593 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 5.4 mm-40 -60.8 -40.31 92.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.836 -177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD22 ' CH2' ' A' ' 21' ' ' TRP . 52.0 tp -63.37 -43.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.28 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 74.6 t -54.97 -46.14 76.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 110.187 177.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -59.08 -49.91 73.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.125 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' OE2' ' A' ' 45' ' ' GLU . 33.2 mmtt -62.52 -39.27 93.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 39' ' ' LEU . 88.4 mt -56.83 -47.46 82.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 110.332 174.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -67.72 -19.51 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.222 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 42' ' ' LYS . 41.8 mt-10 -90.9 -55.39 3.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.951 0.405 . . . . 0.0 111.581 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.81 -36.69 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.196 -170.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 88.0 m-85 -91.38 -46.53 7.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.488 0.661 . . . . 0.0 110.427 174.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.66 32.72 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.112 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -79.0 171.43 15.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.462 0.648 . . . . 0.0 112.287 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -82.45 152.84 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.62 -34.94 71.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.337 0.589 . . . . 0.0 109.969 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.01 -56.34 20.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.84 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.21 -35.92 71.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.589 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.42 -47.48 81.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.255 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 59' ' ' VAL . 40.3 mt-10 -70.61 -34.48 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.308 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.13 -42.05 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.85 -34.6 78.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.878 0.37 . . . . 0.0 110.161 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 54' ' ' ALA . 54.8 t -61.0 -54.35 36.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 55' ' ' GLU . 88.3 t -56.08 -44.6 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.74 -61.6 2.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.526 0.679 . . . . 0.0 110.653 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.66 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.9 t90 -71.76 -24.28 61.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.76 -57.38 11.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.002 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.526 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 3.0 t -66.13 -19.32 65.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -174.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HD2' ' HA ' ' A' ' 61' ' ' TRP . 84.4 mtt180 -60.44 -42.36 95.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 40.3 m-80 -103.19 -59.45 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.448 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 65.0 mm-40 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 124.063 0.945 . . . . 0.0 111.48 173.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 31.1 m-85 -82.43 -9.6 59.37 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 120.896 0.379 . . . . 0.0 111.486 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 29' ' ' MET . 40.1 mtmt -60.8 -41.75 96.24 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 165.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.62 -41.62 34.9 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.187 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 9.0 mptt -63.93 -47.78 79.17 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.688 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 25.8 t -66.44 -30.56 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.39 176.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 11.2 tmtt? -68.49 -32.79 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.918 0.39 . . . . 0.0 110.115 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 39.5 mt-10 -68.52 -29.43 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.382 0.611 . . . . 0.0 110.046 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 38.1 tp60 -70.63 -59.62 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.132 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.528 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -129.69 100.77 5.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.23 -179.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.25 -6.98 59.22 Favored Glycine 0 CA--C 1.517 0.174 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.752 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.704 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 tmtt? -70.96 -28.56 64.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.013 0.435 . . . . 0.0 110.185 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 ' HB3' ' SD ' ' A' ' 29' ' ' MET . 68.6 mt -72.42 145.16 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.026 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.686 ' O ' ' HG2' ' A' ' 29' ' ' MET . 40.3 p -122.71 -178.92 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -176.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -53.09 -44.35 67.49 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.689 ' O ' HG13 ' A' ' 31' ' ' ILE . 19.1 t70 -54.78 -50.98 67.17 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 14.7 m-20 -59.7 -54.32 47.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.096 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.688 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 31.3 mmm -56.93 -39.94 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.29 -174.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.2 m -68.0 -28.17 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.501 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.689 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -83.94 -30.77 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.103 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.636 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 51.7 mt -74.78 -68.31 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.03 -177.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 4.8 pt-20 47.37 -60.2 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.779 1.632 . . . . 0.0 114.638 -174.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -152.71 17.12 0.74 Allowed Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HD3' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -88.81 118.34 28.43 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.674 -177.263 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.7 tmt_? -63.74 -47.39 81.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.487 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.84 -34.06 77.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.376 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HB3' HG12 ' A' ' 32' ' ' ILE . 33.2 mm-40 -64.34 -52.4 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.771 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 43' ' ' ILE . 35.5 tp -62.19 -39.39 92.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.646 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 70.6 t -53.36 -55.07 14.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.97 -41.91 98.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.267 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 43.2 mmtt -59.85 -45.35 92.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.5 mt -59.28 -44.63 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.919 0.39 . . . . 0.0 110.711 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 21.1 mt-30 -61.87 -26.43 68.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.637 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 53.8 mt-10 -96.26 -54.0 3.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.55 -44.14 97.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.707 -173.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 94.7 m-85 -89.56 -43.32 10.87 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.575 0.702 . . . . 0.0 109.965 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 99.45 47.93 1.75 Allowed Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.651 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HD2' HG23 ' A' ' 43' ' ' ILE . 22.7 m-85 -97.74 167.48 10.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.072 0.463 . . . . 0.0 111.104 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -82.77 156.76 23.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.898 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' OE1' ' A' ' 44' ' ' GLN . 18.4 ttpp -56.89 -36.19 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.324 0.39 . . . . 0.0 110.304 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.22 -55.47 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.149 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 51.6 tt0 -67.6 -41.69 83.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.405 -177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.67 -47.03 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.168 -177.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' O ' HG21 ' A' ' 59' ' ' VAL . 39.4 mt-10 -61.95 -37.64 85.47 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.085 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.77 -43.34 94.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.794 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 75.6 mt-10 -73.22 -31.24 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.279 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.2 t -65.85 -44.98 92.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 55' ' ' GLU . 74.6 t -56.78 -41.62 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.184 0.302 . . . . 0.0 111.28 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.53 -48.44 81.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.412 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.86 -42.93 98.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.528 0.68 . . . . 0.0 110.11 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.96 -50.39 74.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.379 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 59' ' ' VAL . 12.2 t -79.97 -14.55 58.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -84.28 -43.25 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.17 -59.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.471 0.611 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.626 174.302 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.456 0.17 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' O ' HG21 ' A' ' 17' ' ' VAL . 16.3 m-85 -73.65 -36.79 65.43 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.985 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 54.7 mtpt -55.13 -42.18 72.66 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.691 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.02 -40.35 57.01 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.223 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 20.5 tptm -65.79 -42.95 90.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.059 0.456 . . . . 0.0 111.333 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.669 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 47.3 t -72.56 -25.84 23.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HG3' ' HE3' ' A' ' 29' ' ' MET . 42.7 mtpt -75.18 -18.78 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.368 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.28 -34.13 55.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.579 0.704 . . . . 0.0 109.186 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -70.76 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.774 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.584 ' HE3' ' HH ' ' A' ' 47' ' ' TYR . 1.4 m95 -127.8 96.66 4.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.846 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.34 -5.88 60.41 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.341 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.6 mmtt -75.39 -30.15 60.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.691 -0.3 . . . . 0.0 111.149 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 ' HG2' ' A' ' 46' ' ' ARG . 57.9 mt -70.96 137.93 49.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.836 -176.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -105.36 -170.55 1.76 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.753 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.76 -44.95 84.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.607 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.6 t70 -65.83 -38.28 88.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.312 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.675 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 46.5 m-20 -59.8 -54.46 45.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.067 0.461 . . . . 0.0 109.901 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.985 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 4.7 ttm -66.07 -33.12 75.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.08 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.1 m -54.87 -37.48 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.925 0.393 . . . . 0.0 110.655 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.5 mt -79.34 -24.83 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.111 0.482 . . . . 0.0 110.181 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.589 HD13 ' HG ' ' A' ' 39' ' ' LEU . 68.3 mt -80.61 -19.7 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -28.08 -58.66 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.659 1.184 . . . . 0.0 113.49 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 35' ' ' LYS . . . -123.15 20.21 7.59 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.388 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.0 mmtp -122.66 101.67 7.61 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.882 0.849 . . . . 0.0 111.721 -176.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -43.08 89.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.346 176.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.77 -33.46 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.73 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 6.3 mm-40 -64.9 -42.05 95.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.544 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.589 ' HG ' HD13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -63.39 -40.71 97.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.718 177.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.7 t -55.44 -50.15 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.974 0.416 . . . . 0.0 110.049 175.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.11 98.41 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.591 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 60.4 mmtt -63.6 -42.41 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.1 mt -58.05 -45.74 88.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.166 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.5 mt-30 -61.73 -39.88 93.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.223 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.3 -39.22 15.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.89 -46.42 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.932 -173.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.0 m-85 -93.3 -46.04 7.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.392 0.615 . . . . 0.0 110.964 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.08 63.88 0.59 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.011 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HD2' HG21 ' A' ' 43' ' ' ILE . 29.4 m-85 -120.0 162.22 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 0.0 110.745 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -79.51 155.88 28.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.65 -33.69 70.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.89 -54.16 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.92 178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -72.22 -34.08 68.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.206 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -61.75 -46.76 88.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 59' ' ' VAL . 49.1 mt-10 -64.6 -37.16 86.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.0 -44.39 97.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.99 -34.94 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 54' ' ' ALA . 74.3 t -63.34 -46.08 96.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.62 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 55' ' ' GLU . 86.5 t -61.11 -38.39 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.556 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.0 -51.74 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.213 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.411 ' CE2' HG22 ' A' ' 17' ' ' VAL . 76.5 t90 -64.18 -39.46 94.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.483 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -55.23 -52.34 63.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.55 -177.07 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.589 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 14.2 t -70.65 -23.0 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.535 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -64.03 -43.29 96.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.749 0.309 . . . . 0.0 111.684 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.9 m-80 -103.84 -61.89 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.688 -171.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.589 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 54.5 mm-40 . . . . . 0 N--CA 1.477 0.897 0 O-C-N 124.25 0.969 . . . . 0.0 111.813 171.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 m-85 -81.64 -11.42 59.1 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 29' ' ' MET . 53.3 mtpt -63.31 -35.2 79.58 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.54 -45.66 28.28 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.479 173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 6.1 mptt -62.86 -44.46 96.05 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.564 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 95.5 t -62.74 -35.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.294 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -74.06 -26.81 60.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.745 -0.597 . . . . 0.0 111.41 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -70.07 -39.77 75.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 109.443 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.1 tp60 -59.12 -61.91 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.005 175.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.579 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 2.7 m95 -114.94 -70.29 0.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.27 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 -25.04 23.51 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.3 tmtt? -71.08 -8.71 55.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.415 0.626 . . . . 0.0 110.036 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 42' ' ' LYS . 89.9 mt -86.61 169.19 12.96 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.478 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.63 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 12.4 p -131.52 -173.49 3.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.037 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.4 t70 -64.2 -34.77 78.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 111.5 -176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.586 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.1 p30 -65.78 -19.86 66.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.857 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 13.0 t70 -71.48 -63.54 1.1 Allowed 'General case' 0 CA--C 1.492 -1.283 0 CA-C-O 122.339 1.066 . . . . 0.0 108.821 171.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.564 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -61.16 -37.24 82.18 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.572 -164.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.5 m -67.36 -36.22 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.707 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 4.0 mt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 111.167 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 39' ' ' LEU . 1.7 mp -90.6 -20.17 6.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -171.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CD ' ' HZ3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.25 -45.11 1.33 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 14.52 6.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.578 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.707 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 7.2 mptt -121.63 113.95 20.47 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.654 0.74 . . . . 0.0 111.566 -177.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -64.02 -43.67 94.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.28 -41.86 80.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' HB3' HD13 ' A' ' 32' ' ' ILE . 79.8 mm-40 -63.29 -46.39 86.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.857 -177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.584 HD22 HG12 ' A' ' 58' ' ' VAL . 37.4 tp -61.41 -34.39 75.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 81.6 t -55.33 -49.23 74.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.32 176.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.31 -48.4 83.83 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.635 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.857 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 69.8 mmtt -59.77 -47.1 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 ' HD2' ' A' ' 49' ' ' TYR . 68.1 mt -58.04 -40.95 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 50.0 mt-30 -63.76 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 58.8 mt-10 -89.67 -46.67 8.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.656 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -72.06 -45.92 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.738 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 96.3 m-85 -92.84 -43.85 8.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.0 110.42 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.96 60.71 0.87 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.756 -174.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.515 ' HD2' HG23 ' A' ' 43' ' ' ILE . 32.1 m-85 -109.76 159.76 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -70.22 146.95 50.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.355 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 59.2 tttm -52.54 -38.45 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.348 0.405 . . . . 0.0 111.117 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.67 -52.81 62.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.022 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.47 -41.87 79.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.653 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.644 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -46.16 83.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.072 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 45.0 mt-10 -59.38 -43.48 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 110.479 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.97 -39.76 93.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.318 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -72.54 -31.42 65.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.116 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 54' ' ' ALA . 48.9 t -66.23 -49.89 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 174.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.05 -37.17 71.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.096 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.38 -47.05 85.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.321 0.581 . . . . 0.0 109.77 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 86.0 t90 -58.56 -43.3 89.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.024 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.17 -37.47 85.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.039 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.9 t -79.27 -19.78 49.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.76 0.314 . . . . 0.0 111.109 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -87.48 -42.71 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.416 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.2 m-80 -92.81 -34.53 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.671 -177.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 . . . . . 0 N--CA 1.47 0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.692 166.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 46.5 m-85 -81.47 -13.18 58.47 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.746 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.716 ' HE2' ' HB3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -58.73 -47.88 83.07 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.23 -44.24 76.51 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.312 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.5 mptp? -60.36 -50.72 72.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.656 ' HB ' ' HE2' ' A' ' 29' ' ' MET . 40.4 t -61.74 -34.71 63.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.771 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HB3' ' HZ1' ' A' ' 18' ' ' LYS . 9.7 mtpm? -69.43 -23.18 63.65 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 41.2 mt-10 -69.77 -41.8 74.66 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -66.97 -53.23 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.631 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.812 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -138.37 108.39 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.14 -176.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 41.53 2.43 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.034 -0.603 . . . . 0.0 114.481 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.875 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 7.1 mttp -116.95 -29.6 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.283 0.541 . . . . 0.0 110.683 172.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.521 ' HG ' ' HH ' ' A' ' 47' ' ' TYR . 76.2 mt -63.27 124.97 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -106.11 -167.46 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.585 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.09 -45.17 64.73 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.753 0.421 . . . . 0.0 111.959 -174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.758 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.5 t70 -58.65 -55.92 28.91 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.066 0.46 . . . . 0.0 110.13 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.903 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.5 m-20 -59.01 -50.02 75.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.611 -173.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.716 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 1.9 mmt -60.42 -37.81 82.06 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.919 -174.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -77.2 -33.27 56.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.606 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.758 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.6 mt -69.02 -33.47 59.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.041 0.448 . . . . 0.0 110.581 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.543 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -84.48 -69.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.7 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.469 ' HA ' ' HZ2' ' A' ' 14' ' ' LYS . 6.9 tp10 69.0 -59.84 0.47 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.311 1.007 . . . . 0.0 111.836 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.22 2.95 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 81.0 mttt -71.71 120.82 17.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.279 0.562 . . . . 0.0 110.363 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -67.69 -37.29 82.1 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.065 -175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.8 -40.6 97.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.094 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.2 mm-40 -70.5 -35.86 73.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.023 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -66.25 -41.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.652 177.163 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 78.2 t -54.95 -49.94 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 120.98 0.419 . . . . 0.0 109.974 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -59.29 -52.75 51.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.263 178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.903 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 32.0 mmtt -60.1 -39.1 85.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 39' ' ' LEU . 61.3 mt -62.48 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.491 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.3 mt-30 -62.27 -42.04 98.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 64.4 mm-40 -78.65 -54.4 6.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.722 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 1.2 tpt180 -69.03 -44.11 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.414 0.626 . . . . 0.0 111.034 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.875 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 17.3 m-85 -94.75 -29.71 14.63 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.191 -171.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.64 55.43 2.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.052 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 43' ' ' ILE . 36.3 m-85 -116.94 162.09 18.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.832 0.348 . . . . 0.0 110.674 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.17 156.32 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.605 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -51.21 -39.6 56.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.628 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 24.3 t70 -56.33 -60.68 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.288 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 51.3 tt0 -66.43 -35.74 81.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.838 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.86 -46.9 82.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.266 -177.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.6 mt-10 -67.56 -29.06 68.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.964 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 97.4 mttt -58.84 -51.69 68.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 110.42 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.73 -36.92 84.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 54' ' ' ALA . 77.9 t -65.17 -48.96 81.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.319 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 55' ' ' GLU . 68.8 t -56.95 -39.5 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.91 -53.39 47.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.572 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.429 ' CZ2' HG21 ' A' ' 17' ' ' VAL . 63.2 t90 -58.41 -42.39 87.1 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.352 0.596 . . . . 0.0 109.78 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 25.0 tt0 -50.88 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.828 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.6 m -69.13 -25.46 64.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.101 -173.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -74.68 -42.56 58.23 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.624 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.909 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 169.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -69.83 159.37 33.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.26 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.44 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 23.4 tptm -64.38 123.83 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.777 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.41 165.05 21.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -72.29 145.34 47.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.044 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.05 39.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.18 123.74 4.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.147 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -68.98 2.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.859 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' GLN . 4.4 p-10 -65.6 -22.82 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.57 0.7 . . . . 0.0 110.484 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -66.46 -35.88 81.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.599 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.04 -28.28 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 50.3 tt0 -67.87 -50.72 54.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.844 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 62.1 m-85 -77.32 -30.08 53.9 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -176.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.57 -45.43 77.33 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.556 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -73.48 -40.07 48.62 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.177 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 28.2 tptt -59.25 -53.04 62.82 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.638 HG11 ' HE3' ' A' ' 21' ' ' TRP . 58.2 t -61.67 -38.91 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.309 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 56.4 mtpt -70.63 -12.54 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.4 mt-10 -87.97 -47.51 8.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.177 0.513 . . . . 0.0 110.35 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.544 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.0 tp60 -70.25 -49.48 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.092 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.711 ' CH2' HD21 ' A' ' 39' ' ' LEU . 9.5 m-90 -94.82 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.14 -27.52 18.86 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.656 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 mmtt -69.96 -27.54 64.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.071 0.462 . . . . 0.0 110.268 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.05 137.37 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.123 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 29' ' ' MET . 54.5 p -98.51 174.31 6.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.24 -30.84 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.422 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.558 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.0 t70 -70.06 -42.53 72.72 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.642 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.681 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 24.6 m-20 -60.06 -44.71 94.51 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.793 0.806 . . . . 0.0 109.114 177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.537 ' HA ' ' HE3' ' A' ' 29' ' ' MET . 1.3 mmt -53.95 -53.1 57.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.342 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 27' ' ' ASP . 14.8 t -63.84 -25.14 68.03 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -173.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.4 mt -75.83 -29.14 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.653 177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 28' ' ' ASP . 56.3 mt -79.27 -69.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 65.44 -60.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.126 0.891 . . . . 0.0 112.598 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' A' ' 68' ' ' ARG . . . -162.94 12.9 0.1 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.5 mptt -89.66 121.83 32.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.205 0.526 . . . . 0.0 110.451 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -61.48 -43.97 97.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.956 175.178 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.17 -44.57 96.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.196 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 1.5 mm-40 -61.91 -40.95 97.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.711 HD21 ' CH2' ' A' ' 21' ' ' TRP . 22.2 tp -63.34 -40.29 96.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.177 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.1 t -56.31 -47.57 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 175.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.53 -45.01 96.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.211 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.681 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 31.7 mmtt -62.56 -40.92 98.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.42 HD12 ' CZ2' ' A' ' 21' ' ' TRP . 94.4 mt -59.32 -41.03 82.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.168 0.509 . . . . 0.0 110.012 175.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 44.2 mt-30 -74.05 -16.22 61.05 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.63 -54.44 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 111.225 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -45.76 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.157 -172.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.2 m-85 -87.53 -45.62 10.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.459 0.647 . . . . 0.0 109.902 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.67 30.3 7.29 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.275 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.416 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.8 m-85 -74.81 170.92 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.366 0.603 . . . . 0.0 111.466 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -89.01 164.81 14.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.422 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -57.6 -40.08 78.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.702 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.54 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.839 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tp60 -70.19 -38.42 75.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.77 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -63.88 -48.38 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.389 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 15.2 mt-10 -73.08 -25.7 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.061 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -59.42 -46.47 88.62 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.251 0.548 . . . . 0.0 109.814 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -73.1 -36.92 66.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.728 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.557 HG22 ' HG ' ' A' ' 39' ' ' LEU . 53.5 t -60.75 -52.46 61.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 55' ' ' GLU . 85.4 t -60.07 -42.58 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.708 0.289 . . . . 0.0 110.924 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.0 t70 -59.05 -56.36 23.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.847 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.3 t90 -63.14 -36.13 82.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 68' ' ' ARG . 3.9 tp10 -54.44 -58.65 6.64 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.679 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -61.5 -26.02 67.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.957 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 48.5 mtt180 -65.75 -39.58 91.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.242 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.57 -66.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.287 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 78.04 -1.8 2.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.942 0.897 . . . . 0.0 112.203 174.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 37.2 t80 -83.4 71.26 10.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 1.4 tpt180 -109.52 -22.87 11.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -173.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.5 p90 . . . . . 0 C--O 1.242 0.661 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.67 -177.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.647 ' HA ' ' HE1' ' A' ' 1' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -61.07 134.6 57.23 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HG2' ' OXT' ' A' ' 69' ' ' TRP . 7.6 tmtm? -79.68 131.77 36.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.873 -176.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.65 119.03 8.46 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.281 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.52 141.2 57.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.842 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.2 125.87 30.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.046 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -61.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.778 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.9 -21.7 25.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.728 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . 24.9 p-10 -79.64 -11.41 59.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.801 -0.199 . . . . 0.0 111.077 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -61.0 -52.12 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 111.038 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -82.19 -39.09 23.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 64.7 tt0 -61.65 -49.12 77.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.838 -174.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 65' ' ' ASN . 3.2 m-85 -82.69 -17.1 45.67 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -173.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.995 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 47.3 mtmt -65.39 -41.07 94.1 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.169 -1.012 . . . . 0.0 109.239 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.16 -36.73 34.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.671 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD2' ' OE2' ' A' ' 19' ' ' GLU . 20.8 tptt -65.5 -47.55 75.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 111.035 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG13 ' HE3' ' A' ' 21' ' ' TRP . 88.9 t -64.16 -30.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.544 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.694 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.0 mttm -67.37 -22.66 65.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.466 -0.493 . . . . 0.0 111.881 173.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE2' ' HD2' ' A' ' 16' ' ' LYS . 45.6 mt-10 -74.04 -42.44 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.176 0.513 . . . . 0.0 110.45 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 8.8 tp60 -78.97 -51.0 10.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.749 ' CZ3' HD22 ' A' ' 39' ' ' LEU . 6.8 m-90 -102.27 -76.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.694 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 97.62 -32.52 6.7 Favored Glycine 0 CA--C 1.509 -0.301 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.587 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 tmtt? -69.75 -14.58 62.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.666 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 38.3 mt -78.04 174.64 10.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.645 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -141.56 -172.54 3.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.197 0.523 . . . . 0.0 111.489 -167.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.52 -34.53 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -56.67 -55.18 37.32 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.339 176.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.666 ' OD1' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.7 -41.63 78.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -172.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.995 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 15.4 ttm -79.21 -15.26 58.32 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.536 -167.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.6 t -76.72 -25.16 53.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -84.37 -42.63 17.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.077 0.465 . . . . 0.0 109.913 175.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.513 HD13 ' HG2' ' A' ' 42' ' ' LYS . 1.3 mp -71.72 -70.39 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.364 -177.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 66.83 -58.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.843 0.714 . . . . 0.0 112.3 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.9 52.05 0.15 Allowed Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -126.91 128.07 45.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.04 0.448 . . . . 0.0 110.109 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -64.29 -52.4 58.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.964 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.81 -40.49 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.622 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 56.6 mm-40 -62.9 -46.39 88.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.047 -176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD22 ' CZ3' ' A' ' 21' ' ' TRP . 15.9 tp -63.22 -41.54 99.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.729 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.7 t -52.02 -45.13 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.296 175.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -46.9 93.5 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.478 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' A' ' 28' ' ' ASP . 50.7 mmtt -66.95 -39.45 87.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 29.4 mt -54.61 -45.54 72.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-O 121.001 0.429 . . . . 0.0 110.337 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 43.4 mt-30 -70.61 -22.44 62.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.295 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.15 -54.17 4.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.47 . . . . 0.0 111.286 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -73.54 -40.73 63.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.064 -170.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 92.4 m-85 -92.64 -43.87 8.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.869 0.843 . . . . 0.0 110.1 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.514 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.05 36.31 5.01 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.169 -171.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.493 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 16.3 m-85 -79.41 176.7 9.45 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.934 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -91.2 153.33 20.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.535 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -55.45 -33.17 63.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 0.0 110.272 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.68 -53.98 51.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.056 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.09 -37.87 75.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.407 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.96 -47.16 83.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.111 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 59' ' ' VAL . 46.4 mt-10 -67.2 -39.18 86.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.94 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.71 -44.49 93.68 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.52 -34.82 70.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 54' ' ' ALA . 42.2 t -60.66 -53.05 54.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.65 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.493 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.8 t -58.3 -38.03 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 121.256 0.55 . . . . 0.0 110.881 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 27.7 t70 -67.81 -50.75 55.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.254 0.549 . . . . 0.0 110.743 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.526 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 79.1 t90 -62.48 -43.8 97.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.559 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 7.6 pt-20 -63.77 -38.27 90.46 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.047 -175.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.8 m -67.24 -31.39 71.71 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 31.9 mtt180 -67.66 -42.9 81.47 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.079 0.466 . . . . 0.0 111.226 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 47.1 m-80 -100.31 -50.96 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.089 -169.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 6.9 mm-40 83.85 -1.71 1.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.97 0.908 . . . . 0.0 112.62 172.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 13' ' ' PHE . 7.9 m-85 -84.15 74.76 10.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.604 0.716 . . . . 0.0 109.453 168.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HE ' ' HB3' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -133.33 -25.97 1.7 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.587 -177.683 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.511 ' OXT' ' HG2' ' A' ' 3' ' ' LYS . 61.0 p-90 . . . . . 0 C--O 1.245 0.834 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.578 0.228 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.94 133.27 47.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 20.1 pttm -66.96 131.1 45.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 0.0 111.339 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -112.94 116.58 30.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.93 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 1.2 tt0 -63.64 159.54 18.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.506 ' HB1' ' OE1' ' A' ' 5' ' ' GLU . . . 79.15 13.75 1.15 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.67 -1.15 . . . . 0.0 113.279 166.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' H ' ' HD1' ' A' ' 10' ' ' TRP . . . -145.45 62.81 0.47 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.085 175.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.44 -138.73 8.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.8 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.675 ' ND2' ' HE1' ' A' ' 67' ' ' TYR . 3.6 p-10 -65.27 -36.53 84.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.454 0.645 . . . . 0.0 110.761 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.733 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -59.12 -34.33 71.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.645 175.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 52.3 tttp -66.74 -27.0 67.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.287 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -74.8 -35.21 62.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 82.1 m-85 -77.71 -24.01 49.31 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.011 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 22.6 ttmm -53.12 -46.68 68.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 166.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.635 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.66 -53.19 21.42 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.373 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.2 mptp? -55.71 -50.08 71.29 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.145 0.472 . . . . 0.0 112.138 -176.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.611 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 74.4 t -57.4 -40.58 75.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.264 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.559 ' HG3' ' HE3' ' A' ' 29' ' ' MET . 56.4 mtpt -72.41 -13.44 61.46 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 42.5 mt-10 -90.61 -37.93 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.191 0.52 . . . . 0.0 110.04 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.62 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.9 tp60 -80.28 -37.54 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.273 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CH2' HD21 ' A' ' 39' ' ' LEU . 10.7 m-90 -105.57 -60.77 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.027 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.58 -27.67 4.15 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 119.986 -1.102 . . . . 0.0 113.453 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -69.72 -21.65 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 175.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 42' ' ' LYS . 55.1 mt -88.23 137.94 31.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.809 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.694 ' O ' ' HG2' ' A' ' 29' ' ' MET . 73.1 p -113.42 174.24 6.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 -174.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.97 -36.46 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -55.24 -51.35 66.88 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 174.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.661 ' O ' HG13 ' A' ' 32' ' ' ILE . 9.4 m-20 -60.58 -47.5 85.94 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.707 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.694 ' HG2' ' O ' ' A' ' 25' ' ' THR . 38.0 mmm -60.0 -36.68 77.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.803 -176.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.3 m -59.61 -31.11 69.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.316 0.579 . . . . 0.0 110.361 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.444 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -89.16 -20.52 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.427 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.4 mt -86.87 -68.8 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.821 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.93 ' HA ' ' HG3' ' A' ' 5' ' ' GLU . 17.0 tt0 63.82 -60.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.39 0.07 OUTLIER Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.952 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 66.6 mmtt -97.82 118.46 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.34 -38.87 85.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.387 0.613 . . . . 0.0 109.905 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.652 ' O ' HG13 ' A' ' 40' ' ' VAL . 25.2 t70 -72.18 -36.57 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.228 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.952 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 25.5 mm-40 -61.39 -47.92 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.639 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.773 HD21 ' CH2' ' A' ' 21' ' ' TRP . 32.6 tp -64.72 -41.82 95.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -59.75 -40.13 81.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 110.24 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -74.93 -40.61 35.24 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.638 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . 28.2 mmtt -64.59 -37.36 87.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -58.4 -49.49 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.907 0.384 . . . . 0.0 110.028 172.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.23 -28.85 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.271 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 48.8 mt-10 -80.06 -50.81 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HB3' ' HB3' ' A' ' 23' ' ' LYS . 20.5 mmt180 -73.48 -44.05 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -172.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -90.99 -44.43 9.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.296 0.569 . . . . 0.0 110.617 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.77 57.57 1.03 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.975 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.467 ' HD2' HG23 ' A' ' 43' ' ' ILE . 13.9 m-85 -108.95 179.56 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.405 0.621 . . . . 0.0 111.52 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.45 155.39 18.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.85 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.22 -25.72 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 110.082 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 32.7 t70 -56.48 -60.71 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 176.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.769 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -46.96 87.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.234 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' HG2' HG21 ' A' ' 40' ' ' VAL . 28.5 mt-10 -64.2 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.946 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 50.7 mtpt -59.75 -42.62 93.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -73.53 -40.11 64.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.241 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.578 HG21 ' HG ' ' A' ' 39' ' ' LEU . 67.8 t -60.51 -54.8 30.16 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.93 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.38 -37.55 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 13.9 t70 -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.519 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 90.6 t90 -65.5 -40.64 93.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -42.95 82.18 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.6 m -73.92 -22.98 59.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.456 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.8 mtt180 -70.0 -42.54 72.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 111.131 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -96.97 -48.32 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.147 0.499 . . . . 0.0 110.226 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 78.29 -44.44 0.39 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.675 ' HE1' ' ND2' ' A' ' 9' ' ' ASN . 36.8 t80 -70.53 105.82 3.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -127.97 16.97 6.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.203 0.525 . . . . 0.0 109.938 -176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.161 -177.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -81.9 124.62 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.899 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -81.99 131.86 35.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 0.0 110.129 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -79.05 117.77 20.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.663 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -96.74 136.74 36.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.159 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.834 ' HA ' ' HB2' ' A' ' 10' ' ' TRP . . . 66.75 144.98 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 123.919 0.762 . . . . 0.0 111.306 -175.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.85 81.38 1.08 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.081 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.2 -68.11 1.96 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' HB3' ' HE2' ' A' ' 67' ' ' TYR . 4.8 p-10 -64.87 -36.35 84.07 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.982 0.42 . . . . 0.0 109.888 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.834 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 26.7 t90 -57.89 -50.12 74.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.401 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -66.07 -42.13 89.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -68.73 -46.8 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.691 0.282 . . . . 0.0 111.614 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 9' ' ' ASN . 76.6 m-85 -80.72 -11.85 59.56 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.829 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.677 ' HG2' ' HB3' ' A' ' 29' ' ' MET . 36.6 mtmt -60.0 -44.84 94.28 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 166.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.16 39.33 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.042 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.75 -50.12 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.728 HG12 ' CE3' ' A' ' 21' ' ' TRP . 77.9 t -61.98 -37.12 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.653 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.1 mtpt -71.34 -14.97 62.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -84.93 -41.51 15.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.029 0.443 . . . . 0.0 110.459 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.616 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 4.2 tp60 -76.77 -43.84 35.35 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.331 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.778 ' CH2' HD21 ' A' ' 39' ' ' LEU . 18.6 m-90 -102.46 -75.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.3 34.24 Favored Glycine 0 CA--C 1.51 -0.262 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.111 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.6 tmtm? -70.58 -24.59 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 110.058 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD21 ' HG2' ' A' ' 46' ' ' ARG . 77.1 mt -80.75 136.63 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.46 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -108.44 -175.52 2.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.03 -40.52 85.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.331 -173.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.763 ' O ' HG13 ' A' ' 31' ' ' ILE . 16.7 t70 -55.75 -50.81 69.4 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.3 175.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.597 ' O ' HG13 ' A' ' 32' ' ' ILE . 12.3 m-20 -60.08 -49.18 78.66 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.468 0.652 . . . . 0.0 109.927 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.677 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 1.4 mmt -61.93 -36.54 81.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.858 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.802 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 6.1 t -72.6 -24.11 61.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.111 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.763 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.3 mt -79.23 -34.14 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.601 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 29.5 mt -81.86 -65.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.491 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER 58.25 -52.01 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.25 1.42 . . . . 0.0 112.174 -171.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.82 20.82 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.715 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 84.1 mttt -79.6 130.43 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.722 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -59.63 4.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.818 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.76 -35.64 66.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.621 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.715 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.7 mm-40 -68.85 -42.04 77.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.54 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.778 HD21 ' CH2' ' A' ' 21' ' ' TRP . 19.9 tp -69.13 -44.42 72.39 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.098 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG21 HG22 ' A' ' 58' ' ' VAL . 93.4 t -55.33 -51.26 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.9 -50.22 67.7 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.19 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.516 ' HG3' HD13 ' A' ' 32' ' ' ILE . 34.5 mmtt -59.26 -41.97 90.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 39' ' ' LEU . 98.2 mt -56.81 -48.87 80.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 110.705 174.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.563 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.267 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 57.8 mt-10 -86.72 -49.1 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.876 -174.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HG2' HD21 ' A' ' 24' ' ' LEU . 1.1 tpt85 -66.37 -47.6 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.678 0.275 . . . . 0.0 111.385 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.9 m-85 -82.39 -45.57 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.0 110.467 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.96 3.2 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.838 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.18 172.58 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.56 160.77 14.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.525 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.33 -32.34 68.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.101 0.476 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.02 -54.96 40.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.435 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.6 -33.99 73.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.555 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.02 -47.19 75.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.273 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.92 -28.0 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -59.52 -49.33 78.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 110.05 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.94 -41.39 97.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.576 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG22 HG21 ' A' ' 40' ' ' VAL . 78.4 t -60.8 -60.24 2.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.379 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.03 -39.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.187 0.305 . . . . 0.0 111.806 -173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.738 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 12.4 t70 -64.6 -59.44 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.306 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.516 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.7 t90 -58.34 -37.65 75.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.33 0.586 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.69 -46.74 88.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.078 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.55 HG21 ' O ' ' A' ' 60' ' ' ASP . 4.0 t -74.74 -18.57 60.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 110.96 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.738 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 34.3 mmt180 -70.66 -42.63 70.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.309 0.576 . . . . 0.0 110.38 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 67' ' ' TYR . 28.2 m-80 -102.93 -61.87 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -171.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 71.7 -17.93 0.32 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.682 0.793 . . . . 0.0 112.716 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' HE2' ' HB3' ' A' ' 9' ' ' ASN . 49.8 t80 -75.21 69.7 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.751 0.786 . . . . 0.0 108.918 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.669 ' HG2' HH11 ' A' ' 68' ' ' ARG . 26.5 ttp85 -147.36 -19.44 0.38 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.972 -176.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.624 -177.395 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.127 0.489 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -87.2 147.95 25.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.339 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -70.7 151.01 45.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.233 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.56 166.46 21.12 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.25 143.5 14.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 112.114 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 10' ' ' TRP . . . -74.74 5.77 4.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.03 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.9 25.04 6.17 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.555 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.28 -62.56 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 6' ' ' ALA . 12.3 p30 -65.73 -37.54 86.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.611 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 23.1 t90 -62.89 -35.03 78.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 110.966 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -81.37 -44.61 17.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 110.448 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.89 -50.54 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.523 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 91.6 m-85 -83.25 -9.25 59.23 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.586 -174.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -58.22 -48.15 81.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 167.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.15 -48.12 16.17 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.428 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.4 mptp? -60.9 -43.46 98.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.643 ' HB ' ' HE3' ' A' ' 29' ' ' MET . 61.6 t -70.52 -30.35 42.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.416 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.756 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 52.4 mtpt -71.54 -20.95 61.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.462 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -72.79 -46.74 51.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 0.0 110.28 176.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -42.31 29.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.613 ' HA ' ' HH ' ' A' ' 47' ' ' TYR . 12.8 m-90 -120.25 87.74 2.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.7 30.77 2.52 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.838 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.2 tttt -117.42 -21.69 8.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.584 -0.363 . . . . 0.0 111.111 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD23 ' HG2' ' A' ' 46' ' ' ARG . 69.8 mt -70.38 137.94 50.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.596 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.3 p -94.66 171.74 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.04 -39.1 77.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.709 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -61.01 -47.46 86.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.597 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.603 ' O ' HG13 ' A' ' 32' ' ' ILE . 73.5 m-20 -58.76 -48.83 79.88 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.098 0.475 . . . . 0.0 110.018 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.756 ' HE1' ' HG3' ' A' ' 18' ' ' LYS . 23.3 mmt -57.13 -40.72 77.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.6 m -69.6 -25.71 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.709 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.9 mt -81.56 -24.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.442 . . . . 0.0 110.051 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.64 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.175 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 15.1 tt0 67.48 -59.91 0.39 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.06 0.85 . . . . 0.0 111.648 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 68' ' ' ARG . . . -179.97 21.52 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 62.1 mttp -88.56 132.52 34.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.135 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -48.98 72.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.831 -172.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.46 -33.71 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.126 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.542 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 19.7 mm-40 -62.13 -45.48 93.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.276 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.15 -46.41 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.894 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.0 t -54.87 -46.43 75.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.376 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.33 86.61 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.025 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HG3' HD12 ' A' ' 32' ' ' ILE . 45.2 mmtt -59.59 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 39' ' ' LEU . 75.5 mt -56.11 -48.26 79.33 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.131 0.491 . . . . 0.0 110.535 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -64.71 -26.96 68.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.348 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -101.4 -41.98 6.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -67.77 -49.92 59.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 110.747 -176.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HH ' ' HA ' ' A' ' 21' ' ' TRP . 84.3 m-85 -87.28 -45.3 10.74 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.753 0.787 . . . . 0.0 109.922 174.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 105.9 26.2 6.18 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.251 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.0 m-85 -74.15 159.71 32.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.0 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -76.27 163.03 27.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.308 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 23.1 ttpp -66.25 -24.91 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -56.66 -60.37 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.182 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -63.31 -41.7 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.635 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.504 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -57.87 -48.48 79.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.599 -176.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 59' ' ' VAL . 33.6 mt-10 -71.74 -33.96 69.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.145 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.66 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 110.792 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.3 -32.0 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 54' ' ' ALA . 41.2 t -63.8 -47.84 89.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.979 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 93.9 t -60.1 -42.24 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.323 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.8 t70 -62.74 -54.36 40.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.131 0.491 . . . . 0.0 110.663 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.58 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.716 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.498 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 9.2 tp10 -49.12 -65.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.07 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.7 m -64.53 -23.22 67.2 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.03 -175.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 94.2 mtt-85 -68.88 -39.89 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.5 m-80 -102.2 -57.19 2.11 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.876 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.8 mm-40 78.9 -46.16 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 124.241 0.963 . . . . 0.0 111.068 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.481 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 3.5 t80 -54.62 108.87 0.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 28.3 ttp-105 172.94 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 7.8 m95 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.431 -1.258 . . . . 0.0 110.853 176.767 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 69' ' ' TRP . 26.7 ptm . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -98.85 124.09 43.53 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HB2' ' OXT' ' A' ' 69' ' ' TRP . 4.2 ttmp? -69.13 127.38 32.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.337 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -86.95 165.83 15.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.586 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.37 138.06 58.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 112.059 -172.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.43 117.64 10.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.713 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.16 108.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.68 -56.36 4.14 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -172.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -64.84 -32.5 74.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.335 0.588 . . . . 0.0 110.054 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.722 ' HZ2' ' HA ' ' A' ' 30' ' ' THR . 23.1 t90 -67.2 -46.64 73.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.618 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -67.09 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -67.56 -44.47 78.16 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 109.777 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' O ' HG21 ' A' ' 17' ' ' VAL . 7.1 t80 -74.48 -39.4 62.49 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.255 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.76 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 50.5 mtmt -54.37 -42.78 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.748 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.543 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -61.52 -37.96 95.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.495 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.64 ' HG3' ' HZ2' ' A' ' 61' ' ' TRP . 50.5 tptt -66.18 -42.14 89.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.765 HG22 ' CH2' ' A' ' 61' ' ' TRP . 12.8 t -66.79 -34.82 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.922 0.392 . . . . 0.0 110.3 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HB3' ' HZ3' ' A' ' 18' ' ' LYS . 9.2 mtpm? -71.58 -21.4 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.4 mt-10 -71.54 -35.92 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.751 172.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.33 -60.19 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.921 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.568 ' HE3' ' HH ' ' A' ' 47' ' ' TYR . 3.6 m95 -122.46 98.18 5.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.829 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.47 5.44 28.92 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.066 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.4 tmtp? -90.81 -19.39 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 110.614 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD21 ' HG2' ' A' ' 46' ' ' ARG . 18.5 mt -75.46 149.45 38.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.456 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 34.1 p -108.6 -176.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.31 -44.08 59.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.737 ' O ' HG12 ' A' ' 31' ' ' ILE . 4.8 t70 -54.37 -40.55 68.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.394 0.616 . . . . 0.0 110.227 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.634 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 3.1 t70 -58.62 -54.38 47.75 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.176 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.76 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 12.8 ttm -84.36 -15.43 46.45 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.433 -168.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.722 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 53.1 m -70.74 -36.06 72.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 109.76 169.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG12 ' O ' ' A' ' 27' ' ' ASP . 33.7 mm -71.82 -30.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.777 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.67 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 36.9 mt -76.69 -64.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.247 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 66.75 -58.31 0.39 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.634 0.773 . . . . 0.0 111.535 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -174.13 30.03 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.749 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.786 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 55.9 mmtt -96.55 128.65 43.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -63.73 -45.63 89.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.23 -37.98 82.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.577 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.786 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 29.5 mm-40 -65.52 -46.77 78.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.102 -176.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 ' O ' HG13 ' A' ' 43' ' ' ILE . 33.8 tp -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.339 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.604 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 89.2 t -52.02 -50.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.22 -48.07 85.34 Favored Glycine 0 CA--C 1.52 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.952 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.634 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 44.9 mmtt -58.75 -45.65 89.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.883 0.342 . . . . 0.0 111.572 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' HD2' ' A' ' 49' ' ' TYR . 77.4 mt -55.77 -42.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.604 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.5 mt-30 -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -84.19 -41.61 16.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 111.626 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.621 HH21 ' HB2' ' A' ' 28' ' ' ASP . 2.8 mpt_? -80.55 -45.15 17.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.52 -169.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.5 m-85 -94.71 -34.38 12.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.34 0.59 . . . . 0.0 110.35 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 91.37 42.38 4.9 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.305 -175.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.526 ' HD2' HG21 ' A' ' 43' ' ' ILE . 18.6 m-85 -82.99 161.93 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.143 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -73.98 147.18 43.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.383 171.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.0 ttpp -56.66 -32.53 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 110.04 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.21 -53.0 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.669 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -72.61 -34.58 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.595 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -60.81 -46.98 88.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 43.4 mt-10 -61.58 -39.27 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.06 -54.3 46.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.75 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -65.86 -33.06 74.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.774 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 54' ' ' ALA . 52.5 t -64.53 -57.06 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.792 176.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.26 -41.26 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.624 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 17.2 t70 -58.93 -64.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.276 0.56 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.765 ' CH2' HG22 ' A' ' 17' ' ' VAL . 86.7 t90 -65.98 -33.23 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.57 -55.45 29.23 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.643 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 m -62.23 -26.41 68.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.322 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 21.1 mmt180 -61.69 -42.68 99.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.848 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.1 m-80 -104.22 -45.09 4.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.046 -170.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 87.49 -2.52 0.57 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.669 0.788 . . . . 0.0 113.001 166.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.34 90.57 7.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.546 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 7.5 tmm_? -157.77 -39.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.558 ' OXT' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.916 -176.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 ttm . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -72.65 165.43 24.75 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.514 ' HZ1' ' HB2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -65.91 114.14 4.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 169.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 5.7 t70 -93.27 166.05 12.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.634 -170.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.37 159.19 20.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.293 0.568 . . . . 0.0 111.457 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.97 110.1 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.657 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.26 94.7 0.16 Allowed Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.803 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.18 3.81 88.64 Favored Glycine 0 C--N 1.33 0.232 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' GLN . 29.4 p-10 -102.11 2.64 37.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.999 -0.6 . . . . 0.0 110.641 -175.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.607 ' HA ' ' CE3' ' A' ' 10' ' ' TRP . 4.4 t-105 -59.78 -50.25 74.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.024 -171.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.31 -24.7 67.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.274 0.559 . . . . 0.0 110.26 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 59.5 tt0 -74.33 -50.33 19.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.162 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -84.79 -29.12 25.68 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.938 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 34.4 ttpt -57.29 -35.11 69.39 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.18 -49.66 38.58 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.548 173.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.16 -42.45 96.74 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG12 ' CE3' ' A' ' 21' ' ' TRP . 99.3 t -59.74 -38.31 75.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 174.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 58.5 mtpt -73.97 -13.52 60.89 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.642 0.258 . . . . 0.0 111.353 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 52.2 mt-10 -83.5 -37.5 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.522 ' CE3' HG12 ' A' ' 17' ' ' VAL . 20.9 m-90 -94.69 -76.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.223 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.476 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.83 -19.66 36.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.736 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HD2' ' HG3' ' A' ' 46' ' ' ARG . 4.1 tmtp? -70.82 -20.78 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.405 0.621 . . . . 0.0 109.82 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD21 ' HG2' ' A' ' 46' ' ' ARG . 86.4 mt -81.09 146.81 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.046 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 p -105.21 -173.12 2.23 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.31 -44.53 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.656 ' O ' HG13 ' A' ' 31' ' ' ILE . 21.7 t70 -66.11 -41.6 90.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.509 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.521 ' O ' HG13 ' A' ' 32' ' ' ILE . 19.9 m-20 -59.69 -52.43 65.52 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.476 0.655 . . . . 0.0 109.619 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.938 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 7.7 ttm -67.33 -32.43 73.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.049 -175.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m -62.92 -31.02 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.609 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.7 mt -74.38 -27.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.553 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -82.33 -77.31 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.644 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 38.5 tt0 66.08 -59.73 0.31 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.996 0.918 . . . . 0.0 112.032 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' A' ' 68' ' ' ARG . . . -147.45 -7.68 0.25 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.332 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 33.1 mmtp -70.77 113.35 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.0 111.296 -175.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.503 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 3.1 tmt_? -51.91 -49.02 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.869 173.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -54.08 -48.74 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.238 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.73 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.3 mm-40 -62.59 -40.15 95.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD23 HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.66 -36.58 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.107 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -59.18 -47.73 89.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -47.24 91.49 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.182 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' HG3' HD13 ' A' ' 32' ' ' ILE . 55.6 mmtt -62.84 -45.76 91.1 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.423 HD12 ' CZ2' ' A' ' 21' ' ' TRP . 96.3 mt -56.08 -48.2 79.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.792 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.8 mt-30 -57.52 -45.94 84.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.48 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.92 -27.51 17.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -169.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG3' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -76.38 -42.91 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.747 -178.132 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.434 ' HH ' ' HA ' ' A' ' 21' ' ' TRP . 71.4 m-85 -88.17 -46.41 9.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.522 0.677 . . . . 0.0 111.148 176.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.8 55.27 0.66 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.682 -170.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -112.68 169.74 8.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.181 0.515 . . . . 0.0 111.319 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -82.9 162.09 21.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.837 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 22.9 ttpp -59.98 -34.35 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.202 0.525 . . . . 0.0 110.057 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.09 -53.85 53.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.41 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.34 -41.42 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.901 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -66.61 -47.75 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.058 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 48.8 mt-10 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.011 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.92 -38.82 89.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.628 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -36.98 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -61.37 -48.22 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.461 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.57 -42.78 92.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.359 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.8 t70 -66.27 -49.98 65.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.764 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.468 ' HZ3' ' HD2' ' A' ' 68' ' ' ARG . 91.1 t90 -64.59 -34.64 78.72 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.499 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -55.07 -49.32 71.94 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 60' ' ' ASP . 4.7 t -73.39 -19.6 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.451 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 74.8 mtt180 -71.44 -44.53 64.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.388 . . . . 0.0 111.217 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -104.56 -56.26 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 78.91 -44.11 0.35 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.524 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 4' ' ' ASP . 21.1 t80 -64.93 106.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' NH2' ' HA ' ' A' ' 36' ' ' ARG . 64.1 ttt180 -168.78 -75.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.74 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.413 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 13.4 t90 . . . . . 0 C--O 1.251 1.164 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.693 ' HB3' ' HB2' ' A' ' 69' ' ' TRP . 22.0 ttt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -77.2 135.13 38.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.726 ' HA ' ' OXT' ' A' ' 69' ' ' TRP . 12.6 tptp -59.5 119.05 6.79 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.494 0.664 . . . . 0.0 111.978 -172.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -84.28 166.05 17.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.084 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -96.69 131.24 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.517 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -68.77 100.89 1.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.09 0.471 . . . . 0.0 111.641 -175.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 112.44 0.52 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.73 -54.8 4.38 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.316 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -67.13 -16.37 64.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.371 . . . . 0.0 110.13 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.75 ' HZ3' ' HG3' ' A' ' 33' ' ' GLU . 13.7 t-105 -56.87 -49.01 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.85 173.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.44 -39.03 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.198 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -79.45 -50.86 10.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.245 0.545 . . . . 0.0 110.647 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 14.0 t80 -73.26 -35.93 66.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.566 -169.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.641 ' HG3' ' HB3' ' A' ' 29' ' ' MET . 38.8 ttpt -50.94 -38.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.45 0.643 . . . . 0.0 109.772 173.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -65.4 -40.7 96.53 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.688 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -65.68 -36.74 84.51 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.91 0.355 . . . . 0.0 111.512 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' CH2' ' A' ' 61' ' ' TRP . 4.1 t -68.74 -37.58 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.411 0.624 . . . . 0.0 109.463 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.21 -22.78 60.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.18 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 49.1 mt-10 -71.18 -36.31 71.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.8 -62.56 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.386 0.612 . . . . 0.0 109.591 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.615 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -106.16 89.5 3.08 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.602 -178.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.17 54.75 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.744 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mttp -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.249 0.524 . . . . 0.0 111.339 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 42' ' ' LYS . 34.1 mt -71.51 122.19 20.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.458 -175.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 29' ' ' MET . 61.3 p -97.11 176.9 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.064 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.96 -35.65 75.41 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.657 ' O ' HG13 ' A' ' 31' ' ' ILE . 12.0 t70 -59.7 -46.96 87.51 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.751 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 16.5 m-20 -59.88 -49.54 77.31 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.31 0.576 . . . . 0.0 109.716 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.641 ' HB3' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -56.46 -39.61 73.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.818 -177.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.604 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 56.9 m -68.86 -36.24 77.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.615 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.657 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.9 mt -72.26 -36.26 55.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.248 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 28' ' ' ASP . 51.3 mt -68.74 -59.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.75 ' HG3' ' HZ3' ' A' ' 10' ' ' TRP . 34.6 tt0 67.59 -58.51 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 124.242 0.964 . . . . 0.0 111.835 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.78 31.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 1.01 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 34.3 mmtp -103.27 129.4 50.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.654 0.264 . . . . 0.0 110.901 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -65.97 -46.17 79.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.877 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.67 -40.16 96.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.98 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 1.01 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.04 -40.59 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.581 -177.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.635 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.1 tp -66.26 -42.91 87.84 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.972 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 77.5 t -52.92 -47.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.17 -54.96 32.98 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.057 175.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 48.2 mmtt -59.3 -38.1 79.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.635 HG13 ' O ' ' A' ' 39' ' ' LEU . 79.7 mt -59.88 -47.41 91.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.521 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.567 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 21.1 mt-30 -75.91 -20.56 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.637 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 46.6 mt-10 -95.23 -39.42 10.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.438 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -74.85 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.652 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.8 m-85 -94.22 -45.14 7.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.431 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.567 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.63 48.86 1.74 Allowed Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.856 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 42.5 m-85 -86.85 165.63 15.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -79.12 155.2 28.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.543 174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 10.0 tmtt? -60.81 -29.15 69.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.034 0.445 . . . . 0.0 110.399 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.63 -53.39 58.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -73.92 -33.78 64.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.528 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.83 -47.4 84.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' CD ' ' HZ3' ' A' ' 51' ' ' LYS . 64.2 mm-40 -54.76 -55.39 30.58 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.86 -40.38 88.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.88 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.583 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 33.9 mm-40 -66.7 -42.33 86.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.109 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 54' ' ' ALA . 78.8 t -63.95 -57.8 10.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.02 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.41 -43.69 78.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 30.5 t70 -63.55 -57.41 10.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.929 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.612 ' CH2' HG22 ' A' ' 17' ' ' VAL . 91.3 t90 -63.33 -39.83 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.89 -61.04 2.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.059 177.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.54 -16.09 62.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.682 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 86.6 mtt-85 -72.66 -30.64 64.45 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.158 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.4 m-80 -102.52 -58.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.297 -174.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.0 mm-40 80.36 -31.46 0.12 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.301 0.64 . . . . 0.0 112.501 171.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -78.24 69.24 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.479 0.657 . . . . 0.0 110.269 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 47.3 ttp85 -148.95 -20.95 0.3 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.726 ' OXT' ' HA ' ' A' ' 3' ' ' LYS . 53.4 m95 . . . . . 0 C--O 1.244 0.768 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.658 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -77.37 123.34 26.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 170.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -72.73 131.87 42.91 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 111.342 -170.448 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.28 134.56 56.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.775 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -52.33 131.12 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.663 0.602 . . . . 0.0 111.838 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -76.03 63.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.841 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.54 -77.44 0.87 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' HA2' ' HD3' ' A' ' 11' ' ' LYS . . . -72.64 -26.84 70.57 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 172.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.511 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . 55.0 t-20 -64.7 -38.2 90.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 34.2 t-105 -65.91 -42.53 90.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.211 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HD3' ' HA2' ' A' ' 8' ' ' GLY . 45.6 mtpt -71.26 -46.1 61.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.073 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.42 -50.61 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.528 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.558 ' CE2' ' HD2' ' A' ' 67' ' ' TYR . 68.4 m-85 -81.5 -22.88 37.71 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.833 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 22.2 ttmm -55.88 -43.0 76.78 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 171.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.17 -44.94 21.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.612 176.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 3.8 mptp? -61.09 -46.16 91.75 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.9 0.35 . . . . 0.0 111.897 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 84.4 t -62.59 -42.91 97.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.494 177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 16.8 mtpt -68.82 -12.69 61.8 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 46.0 mt-10 -76.58 -44.38 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 110.203 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.31 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.803 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -119.99 98.59 6.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.744 -178.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.2 12.66 63.78 Favored Glycine 0 C--N 1.317 -0.511 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.791 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 tttt -87.09 -37.39 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.824 0.812 . . . . 0.0 110.247 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 47.6 mt -59.69 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.02 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -98.57 -177.1 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.81 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.8 -44.22 90.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.521 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.592 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -54.99 -47.84 74.08 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.659 ' O ' HG13 ' A' ' 32' ' ' ILE . 21.5 m-20 -60.06 -53.61 55.72 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.833 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 mtm -73.11 -16.39 61.46 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.8 -175.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.505 HG23 ' HH2' ' A' ' 10' ' ' TRP . 62.5 m -66.54 -37.36 84.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.7 mt -78.03 -30.54 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.921 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.664 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 41.2 mt -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.147 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 66.03 -58.25 0.34 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.721 0.638 . . . . 0.0 111.156 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.39 29.81 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 21.8 mmtp -92.26 126.76 37.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -62.71 -43.19 99.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.27 -39.25 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.414 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.644 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 50.1 mm-40 -65.65 -49.95 66.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.054 -175.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.7 tp -65.56 -38.97 91.1 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.672 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.629 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 68.5 t -55.45 -50.82 63.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.819 0.342 . . . . 0.0 110.154 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -65.13 -45.11 92.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.396 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HG3' HD12 ' A' ' 32' ' ' ILE . 42.5 mmtt -60.13 -45.42 93.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.8 mt -59.3 -41.88 85.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.954 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.629 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 72.8 mt-30 -61.74 -43.58 98.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.12 0.485 . . . . 0.0 111.044 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 44.8 mt-10 -80.3 -53.16 6.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.561 -172.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.8 tpt180 -66.67 -44.5 81.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 110.817 -173.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.803 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 25.4 m-85 -95.59 -16.48 22.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.338 -171.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.72 40.83 10.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.007 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.2 m-85 -98.55 165.81 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.99 0.424 . . . . 0.0 110.526 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.87 161.73 13.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 19.2 ttpp -52.95 -38.31 61.89 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.422 0.451 . . . . 0.0 110.755 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.5 -60.83 2.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.652 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 38.2 tt0 -71.41 -32.94 68.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.741 -174.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -64.43 -47.19 80.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.313 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' HG21 ' A' ' 59' ' ' VAL . 46.3 mt-10 -65.34 -32.12 73.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.652 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 86.5 mttt -59.49 -47.65 84.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -65.41 -34.62 78.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 54' ' ' ALA . 85.8 t -66.38 -46.82 85.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 55' ' ' GLU . 70.6 t -62.54 -40.93 90.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.694 0.283 . . . . 0.0 111.601 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.581 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 13.9 t70 -66.38 -52.07 50.54 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.4 ' CZ2' HG21 ' A' ' 17' ' ' VAL . 86.1 t90 -60.45 -38.97 85.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.94 -58.44 5.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.133 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -64.59 -23.16 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 29.4 mmt180 -63.41 -42.81 98.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.29 0.567 . . . . 0.0 110.141 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.63 -71.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.86 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 73.31 -3.42 2.46 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.113 0.965 . . . . 0.0 111.828 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.558 ' HD2' ' CE2' ' A' ' 13' ' ' PHE . 65.7 t80 -87.32 80.77 8.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -154.68 -39.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -170.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.626 -173.497 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.653 0.263 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -91.95 124.88 36.39 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 167.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.703 ' HB3' ' HZ3' ' A' ' 3' ' ' LYS . 1.3 mtpm? -60.14 116.06 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.495 ' HB3' ' HE1' ' A' ' 67' ' ' TYR . 3.2 t70 -62.8 143.19 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.337 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.5 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . . . -88.21 75.89 8.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.135 0.493 . . . . 0.0 110.677 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.79 97.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.95 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.94 -53.46 4.24 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -65.7 -16.99 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.29 0.567 . . . . 0.0 110.033 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.68 ' CH2' ' HA ' ' A' ' 30' ' ' THR . 21.5 t-105 -57.58 -48.48 79.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.994 173.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 11' ' ' LYS . 36.0 ttpt -67.87 -32.38 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.273 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.41 -51.15 55.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.629 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 77.7 m-85 -85.35 -24.42 27.61 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.996 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HG3' ' HG2' ' A' ' 29' ' ' MET . 34.7 ttpt -59.62 -38.76 82.17 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 170.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -72.02 -51.67 13.72 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.129 174.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 13.6 mptt -54.01 -52.46 60.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.708 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 59.7 t -56.43 -43.68 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.033 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -72.83 -16.06 61.61 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.8 mt-10 -74.74 -29.84 61.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -57.08 3.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.736 ' HZ2' ' HG3' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -121.47 96.0 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.252 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.11 -6.05 72.91 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 113.993 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.688 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 13.5 mmtt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.032 0.416 . . . . 0.0 111.741 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' HG2' ' A' ' 46' ' ' ARG . 66.2 mt -62.38 150.89 38.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.918 -178.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 p -121.06 -175.32 3.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.355 -172.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.37 -33.46 73.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.029 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.17 -37.97 75.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.734 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 28.2 m-20 -67.89 -51.3 49.63 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 122.031 0.92 . . . . 0.0 109.163 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.708 ' HE1' ' HB ' ' A' ' 17' ' ' VAL . 58.2 tpp -60.66 -42.15 96.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.659 -1.61 . . . . 0.0 112.174 -171.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.68 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 12.7 t -62.85 -24.15 67.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.233 0.54 . . . . 0.0 110.855 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.54 -30.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.213 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.584 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 19.6 mt -85.68 -71.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.437 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.9 pp20? 50.26 -57.89 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.311 1.445 . . . . 0.0 113.443 -166.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 62.73 0.32 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.267 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.829 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.9 mptt -132.17 124.96 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.369 -0.489 . . . . 0.0 110.255 173.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.4 tmt_? -60.37 -39.67 88.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.63 -45.16 88.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.829 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 32.9 mm-40 -65.95 -41.98 90.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.006 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 43' ' ' ILE . 26.8 tp -66.76 -39.92 88.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.469 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 63.1 t -54.95 -50.61 60.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.178 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -48.61 85.37 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.118 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 24.6 mmtt -59.77 -42.45 93.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.7 mt -58.63 -40.47 79.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.798 177.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 65.7 mt-30 -66.81 -31.33 71.89 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -89.75 -36.74 15.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.498 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -78.46 -57.27 3.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.864 -174.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.688 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.4 m-85 -84.34 -46.14 12.06 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 110.882 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 112.25 25.87 4.54 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.497 -177.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.12 171.49 14.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.322 0.582 . . . . 0.0 111.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -88.55 165.28 14.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.635 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -57.59 -42.71 83.74 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.367 0.417 . . . . 0.0 111.086 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.92 -52.96 63.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.0 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -64.31 -38.64 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.669 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.531 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -63.97 -47.07 81.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.843 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.6 -37.95 74.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.16 0.288 . . . . 0.0 111.087 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.883 ' HB3' ' HZ1' ' A' ' 56' ' ' LYS . 9.7 mtpm? -58.1 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.371 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.736 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 23.7 mm-40 -73.31 -27.6 61.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.312 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG22 ' HG ' ' A' ' 39' ' ' LEU . 73.0 t -68.49 -59.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.566 177.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.23 -33.65 51.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.601 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.3 t0 -62.29 -62.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.277 177.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.536 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.3 t90 -58.46 -41.48 85.28 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.591 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.43 -50.84 64.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.496 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -68.14 -28.07 66.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.985 0.421 . . . . 0.0 111.376 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mtt180 -67.42 -42.45 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 111.231 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 36.1 m-80 -102.72 -35.41 8.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.921 -172.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 10.2 mm-40 80.56 -1.37 1.9 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.564 0.746 . . . . 0.0 112.331 171.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.495 ' HE1' ' HB3' ' A' ' 4' ' ' ASP . 91.4 t80 -80.98 105.69 12.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -139.11 -81.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.619 ' OXT' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.506 -174.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.828 0.347 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -97.04 163.66 12.85 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 4.8 mtmp? -80.97 137.68 36.09 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.498 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.08 168.14 20.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.193 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.92 142.36 11.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.64 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 0.0 111.707 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.33 136.79 4.45 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.94 -65.19 2.25 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.363 -0.922 . . . . 0.0 110.932 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.65 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.973 0.416 . . . . 0.0 109.917 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.96 ' HH2' ' HA ' ' A' ' 30' ' ' THR . 76.9 t-105 -57.29 -47.34 81.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.309 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -70.28 -37.26 74.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.63 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.04 -50.47 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -82.6 -22.59 34.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.998 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.16 -45.92 89.73 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.658 -0.817 . . . . 0.0 108.844 169.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.23 -33.85 52.87 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 40.3 tptt -68.51 -49.55 58.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.608 HG11 ' HE3' ' A' ' 21' ' ' TRP . 83.0 t -60.68 -34.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.133 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 93.8 mttt -75.74 -13.16 60.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.8 0.334 . . . . 0.0 111.497 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.54 -47.09 9.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.43 0.633 . . . . 0.0 109.864 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 21' ' ' TRP . 4.0 tp60 -76.31 -37.61 57.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.608 ' HE3' HG11 ' A' ' 17' ' ' VAL . 9.9 m-90 -113.75 -74.62 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 80.34 -14.99 19.85 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.84 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 1.012 ' HG2' ' HB3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -72.85 -14.09 61.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.299 0.571 . . . . 0.0 109.639 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 42' ' ' LYS . 20.4 mt -89.17 151.81 21.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.921 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.618 ' O ' ' HG2' ' A' ' 29' ' ' MET . 41.6 p -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.925 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -37.01 77.52 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -169.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.3 t70 -60.51 -41.57 94.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.252 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.599 ' O ' HG13 ' A' ' 32' ' ' ILE . 66.7 m-20 -61.94 -49.6 75.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.351 0.596 . . . . 0.0 109.549 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 25' ' ' THR . 29.8 mmm -55.41 -35.97 65.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.393 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.96 ' HA ' ' HH2' ' A' ' 10' ' ' TRP . 24.4 m -68.87 -29.27 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.168 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -85.93 -22.0 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.599 HG13 ' O ' ' A' ' 28' ' ' ASP . 57.5 mt -86.43 -62.33 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.451 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.58 -57.95 0.31 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.87 0.731 . . . . 0.0 111.206 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.787 ' HA3' ' HE2' ' A' ' 3' ' ' LYS . . . 179.22 18.89 0.03 OUTLIER Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.2 125.82 30.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.813 0.339 . . . . 0.0 110.124 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' O ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -59.64 -48.97 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.216 -176.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.67 -31.85 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -63.58 -46.46 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.661 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.55 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -65.27 -39.36 92.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 72.4 t -54.17 -52.71 35.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 110.374 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.81 -44.44 95.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.229 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HB3' HD23 ' A' ' 24' ' ' LEU . 52.1 mmtt -65.29 -38.58 90.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.53 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 90.8 mt -62.75 -38.16 80.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.2 mt-30 -68.75 -20.2 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 31.5 mt-10 -90.89 -49.75 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.285 0.564 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 1.012 ' HB3' ' HG2' ' A' ' 23' ' ' LYS . 15.7 mmt180 -71.78 -55.87 6.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.175 -172.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 95.9 m-85 -89.71 -45.46 9.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.364 0.602 . . . . 0.0 109.637 176.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.522 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.17 41.17 2.66 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.535 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 76.2 m-85 -85.63 161.13 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -72.84 153.99 40.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -51.9 -42.93 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.316 0.385 . . . . 0.0 111.683 -175.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.96 -48.37 75.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.398 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 53.7 tt0 -76.03 -32.65 59.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.18 -45.96 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.204 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.93 -35.81 75.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.81 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 59.8 tttp -59.58 -43.61 93.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.924 0.392 . . . . 0.0 110.325 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HB3' ' HZ2' ' A' ' 21' ' ' TRP . 1.4 mm-40 -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.779 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG11 ' HG2' ' A' ' 36' ' ' ARG . 86.9 t -62.38 -47.84 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.66 -35.74 75.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.073 0.463 . . . . 0.0 110.731 179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.75 -53.95 49.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.807 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -61.47 -40.58 95.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.791 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -55.05 -52.11 64.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 m -65.05 -29.67 70.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.27 -39.81 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.836 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.619 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.8 m-80 -98.76 -56.49 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.256 -174.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 42.3 mm-40 92.8 -25.53 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.508 1.13 . . . . 0.0 112.309 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -79.87 91.85 5.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -152.78 151.36 30.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.454 ' H ' ' HE3' ' A' ' 3' ' ' LYS . 41.9 t90 . . . . . 0 C--O 1.247 0.968 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -82.46 166.14 19.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 69' ' ' TRP . 63.7 tttm -63.59 117.98 7.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.169 -177.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.29 143.94 56.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.975 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.62 158.32 17.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.82 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.517 ' HB2' ' HE3' ' A' ' 10' ' ' TRP . . . -48.33 96.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.893 0.746 . . . . 0.0 112.646 -175.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.1 116.63 0.39 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -60.75 2.68 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 -171.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -66.17 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.517 ' HE3' ' HB2' ' A' ' 6' ' ' ALA . 14.9 t-105 -57.04 -50.09 73.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.318 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 34.7 ttpt -81.4 -45.29 16.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.83 -50.3 67.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.052 -172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -87.32 -18.01 31.11 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -172.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 170.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.53 -47.73 11.86 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.168 175.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -60.85 -43.75 97.92 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.23 -46.59 81.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.354 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 59.7 mttm -64.87 -24.79 67.64 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -68.0 -29.89 69.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.04 0.448 . . . . 0.0 110.334 176.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -63.25 1.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.625 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -121.08 96.1 4.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.997 179.237 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . -76.43 -10.54 85.6 Favored Glycine 0 C--N 1.319 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.693 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.37 -24.26 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.973 0.387 . . . . 0.0 110.982 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD21 ' OD2' ' A' ' 28' ' ' ASP . 14.5 mt -67.89 156.84 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.36 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.5 p -127.33 -167.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 111.744 -168.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.83 -42.12 41.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.429 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.5 p-10 -68.14 -15.15 63.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.321 0.581 . . . . 0.0 110.229 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.802 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 11.1 t70 -75.08 -53.57 8.64 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 122.463 1.125 . . . . 0.0 109.078 173.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpp -75.2 -26.26 58.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 113.12 -1.855 . . . . 0.0 112.436 -168.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' HG1' ' HH2' ' A' ' 10' ' ' TRP . 9.9 t -69.19 -26.05 64.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.377 0.608 . . . . 0.0 110.033 175.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 27' ' ' ASP . 22.6 mm -83.67 -35.18 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.755 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.651 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 38.8 mt -90.06 -81.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.346 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.651 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER 54.2 -47.95 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.599 1.56 . . . . 0.0 113.896 -173.214 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.77 33.4 0.97 Allowed Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.681 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 67.5 mmtt -108.17 114.52 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.43 . . . . 0.0 110.456 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -65.42 -51.8 57.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.407 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.89 -35.8 77.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.043 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.681 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 13.2 mm-40 -64.45 -33.06 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.56 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 32' ' ' ILE . 46.1 tp -68.58 -40.44 80.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.809 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 87.6 t -54.16 -50.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.05 -49.63 73.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.79 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 40.7 mmtt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.956 0.378 . . . . 0.0 111.943 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.78 -45.15 91.45 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.982 0.42 . . . . 0.0 110.661 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.542 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 25.3 mt-30 -63.06 -23.71 67.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -91.55 -47.04 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.388 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.545 HH21 ' HB2' ' A' ' 28' ' ' ASP . 1.1 mpt_? -73.75 -46.31 46.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.95 -174.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.75 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.8 m-85 -94.07 -35.71 12.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.493 0.663 . . . . 0.0 110.413 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 89.16 59.19 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.239 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -104.45 169.31 8.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 0.0 111.104 -178.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -84.94 156.52 21.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 13.3 ttpt -60.85 -27.53 68.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 110.074 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.0 -60.25 3.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.793 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.571 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 43.6 tt0 -68.83 -40.31 79.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.141 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' HG21 ' A' ' 58' ' ' VAL . . . -56.88 -47.32 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.841 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' ' HE3' ' A' ' 51' ' ' LYS . 33.4 mt-10 -65.07 -42.05 94.53 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.66 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 24.9 mm-40 -65.69 -40.92 92.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 54' ' ' ALA . 72.8 t -63.23 -51.02 76.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 55' ' ' GLU . 96.8 t -59.04 -39.22 77.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.622 0.249 . . . . 0.0 111.427 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 23.0 t70 -60.55 -57.7 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.97 -40.67 94.27 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.76 -50.06 74.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 m -67.87 -24.34 65.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.1 mtt-85 -69.57 -42.01 75.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.078 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -102.24 -58.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.666 -173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 75.13 -27.08 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.841 0.856 . . . . 0.0 112.53 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.93 94.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.234 0.54 . . . . 0.0 109.726 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 7.8 tmm_? -164.76 -55.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.9 -174.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.487 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 40.6 t-105 . . . . . 0 C--O 1.243 0.719 0 O-C-N 124.314 1.008 . . . . 0.0 111.274 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.774 0.321 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -79.67 138.57 37.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.611 ' HE3' ' HA3' ' A' ' 34' ' ' GLY . 59.4 tttm -60.51 134.21 56.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.66 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -84.4 166.46 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.176 0.513 . . . . 0.0 110.788 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -78.55 123.97 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.369 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 101.7 5.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.918 0.39 . . . . 0.0 110.289 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.26 138.83 6.93 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.72 -37.42 2.29 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.806 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -94.46 3.47 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.967 0.507 . . . . 0.0 109.905 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.76 -52.82 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.623 -174.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.94 -24.95 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.453 0.644 . . . . 0.0 110.157 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.72 -43.39 96.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.409 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.645 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 23.5 m-85 -85.33 -29.58 24.38 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 1.08 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 53.3 mtpt -59.23 -41.37 88.5 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.73 -35.94 74.44 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.965 173.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 8.1 tptp -66.29 -47.29 74.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.796 0.298 . . . . 0.0 111.639 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.675 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 16.7 t -67.44 -27.82 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.235 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' HG3' ' HE2' ' A' ' 29' ' ' MET . 60.6 mtpt -73.92 -25.83 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.341 176.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.3 mt-10 -66.95 -45.44 77.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -57.71 -62.52 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.166 176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.792 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -115.27 -69.91 0.83 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.24 -12.5 64.37 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.079 174.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.605 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.3 tmtp? -73.24 -13.69 61.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.511 HD21 ' HG2' ' A' ' 46' ' ' ARG . 71.7 mt -76.86 -178.22 4.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.579 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 28' ' ' ASP . 25.3 p -136.44 173.17 11.99 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.294 -170.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.931 -177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -73.09 -41.57 63.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.755 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.583 ' O ' HG13 ' A' ' 32' ' ' ILE . 2.7 p30 -61.72 -43.34 99.04 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.112 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 1.08 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 28.0 ttm -79.28 -18.15 53.26 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.737 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.8 m -60.14 -32.27 70.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 109.355 167.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.5 mt -89.71 -31.03 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.334 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.583 HG13 ' O ' ' A' ' 28' ' ' ASP . 64.3 mt -73.81 -15.67 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -27.9 -59.06 0.11 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.432 1.082 . . . . 0.0 112.953 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' HA3' ' HE3' ' A' ' 3' ' ' LYS . . . -127.04 21.03 5.88 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.324 178.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.7 mmtp -115.38 99.58 7.49 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 111.382 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -37.96 80.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.399 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -43.34 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.048 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.522 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.7 mm-40 -65.68 -47.87 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.987 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.754 ' HG ' HG23 ' A' ' 58' ' ' VAL . 22.3 tp -60.84 -38.89 87.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.683 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.9 t -56.42 -53.03 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.438 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.538 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.13 -41.49 99.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.228 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' ' 28' ' ' ASP . 52.7 mmtt -65.12 -41.3 94.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.645 HG21 ' HD2' ' A' ' 49' ' ' TYR . 82.1 mt -63.57 -39.17 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.53 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 49.8 mt-30 -64.82 -24.89 67.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.191 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 49.6 mt-10 -93.17 -45.28 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.511 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.61 -44.44 57.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -173.212 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.605 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 91.3 m-85 -93.88 -39.49 10.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.438 0.637 . . . . 0.0 110.106 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.9 52.96 1.7 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.823 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.645 ' HD2' HG21 ' A' ' 43' ' ' ILE . 40.4 m-85 -98.07 175.39 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.272 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -92.25 167.06 12.28 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 62.2 tttp -57.69 -40.31 79.19 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.344 0.403 . . . . 0.0 110.546 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.61 -52.25 66.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.9 -45.96 86.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.689 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.528 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -62.77 -46.93 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 50.5 mt-10 -60.03 -40.77 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.992 -178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.93 -45.65 91.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.02 -39.98 83.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.792 0.33 . . . . 0.0 110.998 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.754 HG23 ' HG ' ' A' ' 39' ' ' LEU . 98.9 t -62.69 -49.62 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.364 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.74 -32.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.774 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.681 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 11.3 t70 -64.92 -54.5 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.455 ' CZ2' HG21 ' A' ' 17' ' ' VAL . 85.6 t90 -54.76 -39.98 68.9 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.336 0.589 . . . . 0.0 110.112 175.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HB2' HH21 ' A' ' 68' ' ' ARG . 12.0 tt0 -57.93 -40.47 80.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.466 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 60' ' ' ASP . 5.0 t -80.35 -20.03 45.08 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.982 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 25.4 mmt180 -74.99 -44.27 49.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.512 . . . . 0.0 111.011 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.2 m-80 -104.77 -40.65 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.311 -172.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 41.5 mt-10 85.23 -44.32 0.06 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.894 0.878 . . . . 0.0 112.196 170.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.645 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t80 -73.78 102.95 4.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.245 0.545 . . . . 0.0 111.246 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.539 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 46.5 ttm-85 -132.33 16.13 4.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 169.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.568 ' HA ' ' HG3' ' A' ' 3' ' ' LYS . 30.2 m-90 . . . . . 0 C--O 1.241 0.652 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.538 -176.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -73.32 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.063 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' HE2' ' O ' ' A' ' 68' ' ' ARG . 52.6 tttm -71.25 150.81 44.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.311 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.53 163.05 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -92.6 141.05 28.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.988 0.423 . . . . 0.0 111.102 -172.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 10' ' ' TRP . . . -92.73 118.77 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.597 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.92 -94.37 0.22 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.849 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.82 -31.93 34.44 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -65.79 -20.05 66.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.354 0.597 . . . . 0.0 110.092 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . 12.8 t-105 -67.17 -40.46 86.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.974 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.99 -30.89 70.55 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.807 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.6 tp-100 -62.36 -50.85 69.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.299 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.419 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 21.1 m-85 -79.19 -21.66 46.05 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.617 ' O ' ' HE3' ' A' ' 29' ' ' MET . 22.7 ttmm -57.77 -45.43 85.96 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 168.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -66.06 -45.4 87.62 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.265 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 29.3 mmmt -58.27 -52.39 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 84.9 t -56.92 -35.43 47.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.7 mtpt -75.9 -28.68 58.17 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.689 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.9 mt-10 -70.74 -38.69 73.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -55.63 -61.16 2.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.449 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.767 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.19 10.54 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 119.975 -1.107 . . . . 0.0 114.748 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.868 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 8.7 mttt -69.86 -34.76 74.02 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 117.634 0.717 . . . . 0.0 110.849 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 49.8 mt -59.7 141.62 54.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.905 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.589 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 28.0 p -117.15 -175.1 2.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.164 -169.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -56.04 -36.73 68.34 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.832 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.7 t70 -59.05 -42.23 89.79 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.589 ' HB3' ' O ' ' A' ' 25' ' ' THR . 2.6 t70 -58.02 -62.23 1.97 Allowed 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.577 1.179 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.617 ' HE3' ' O ' ' A' ' 14' ' ' LYS . 4.0 mtp -61.54 -34.74 76.06 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 112.512 -2.131 . . . . 0.0 110.344 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.3 m -67.06 -32.36 73.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.539 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.832 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.9 mt -86.17 -35.11 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.757 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.83 -66.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.636 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 64.83 -59.24 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.287 0.635 . . . . 0.0 112.534 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.03 43.17 0.11 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 121.104 -0.569 . . . . 0.0 111.779 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -122.68 128.8 51.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.725 HH21 ' HG2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -58.25 -51.23 70.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.43 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 11.8 t70 -63.16 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 -172.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.473 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 11.7 mm-40 -68.83 -45.41 71.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.492 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.411 ' HG ' ' CD1' ' A' ' 43' ' ' ILE . 58.3 tp -64.68 -34.58 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.221 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.482 HG21 ' HE ' ' A' ' 36' ' ' ARG . 76.3 t -57.06 -46.92 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.25 -53.86 39.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.489 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.526 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 29.8 mmtt -67.08 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -175.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.601 HG21 ' HD2' ' A' ' 49' ' ' TYR . 67.4 mt -56.0 -38.47 53.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.044 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.4 mt-30 -63.96 -44.04 93.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.029 0.443 . . . . 0.0 110.26 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.68 -53.85 40.89 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.806 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.55 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.3 tpt180 -76.49 -43.57 39.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.782 -168.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.868 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 12.3 m-85 -95.75 -23.69 16.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.71 -170.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.53 25.4 25.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.541 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' HD2' HG21 ' A' ' 43' ' ' ILE . 26.8 m-85 -85.8 163.87 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -90.0 161.63 15.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.183 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 21.0 ttpp -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.596 0.56 . . . . 0.0 111.006 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.73 -53.68 53.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.05 -43.25 88.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.429 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -58.02 -46.05 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.327 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.725 ' HG2' HH21 ' A' ' 36' ' ' ARG . 45.0 mt-10 -55.31 -48.69 73.74 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.22 -35.49 81.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.556 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.49 -37.51 65.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.281 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 54' ' ' ALA . 88.1 t -65.82 -46.3 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.111 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.4 -36.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.425 176.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.2 t70 -63.27 -49.8 72.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.24 176.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -55.35 -45.77 76.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.735 0.779 . . . . 0.0 110.159 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -65.13 -37.32 87.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.612 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 t -81.31 -14.91 56.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.425 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 52.5 mtt180 -89.19 -42.17 11.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 0.0 111.099 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.408 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 34.4 m-80 -92.95 -47.6 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.254 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 79.2 -1.41 2.27 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.334 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 34.7 t80 -91.82 84.42 5.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.996 0.426 . . . . 0.0 110.558 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.495 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 15.3 ttm180 -106.64 8.19 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.56 -175.687 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -100.23 135.63 41.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.215 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.872 ' HE3' ' HA3' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -60.34 113.98 2.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.87 155.63 37.3 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.822 -173.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 115.54 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.794 ' HB3' ' HB2' ' A' ' 10' ' ' TRP . . . -64.3 87.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.869 0.73 . . . . 0.0 112.198 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.73 54.65 0.76 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.03 -55.02 0.34 Allowed Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 9.3 p30 -65.73 -32.89 74.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 0.0 110.661 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.794 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 26.2 t-105 -57.07 -50.93 71.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.738 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -81.75 -44.38 17.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.701 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.24 -40.99 77.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -172.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 49.6 m-85 -84.73 -11.33 56.04 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.409 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 42.5 mtpt -60.08 -41.95 93.53 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 166.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -70.12 -47.36 45.85 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.927 175.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.1 mptp? -63.29 -46.76 85.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 20' ' ' GLN . 91.3 t -64.2 -34.57 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.658 ' HG2' ' HE3' ' A' ' 29' ' ' MET . 11.5 mmmm -72.08 -28.97 63.66 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.032 -0.417 . . . . 0.0 111.072 176.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 51.7 mt-10 -65.24 -47.0 78.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.495 0.664 . . . . 0.0 109.324 170.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.605 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 33.1 tp60 -50.85 -60.74 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.792 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.824 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -122.95 -55.8 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.06 -28.29 6.76 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.234 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 7.3 mmtt -70.6 -6.86 39.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.247 0.546 . . . . 0.0 110.445 176.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.797 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 4.9 mt -74.27 -178.46 3.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.688 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 p -149.8 155.46 40.13 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.835 -0.166 . . . . 0.0 110.9 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.71 -35.37 30.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' HG23 ' A' ' 30' ' ' THR . 8.9 t70 -58.29 -39.67 79.91 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.117 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.797 ' OD2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.41 -47.85 69.05 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -178.001 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.658 ' HE3' ' HG2' ' A' ' 18' ' ' LYS . 2.8 mtp -69.15 -29.1 67.05 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.158 -164.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 27' ' ' ASP . 9.1 t -68.69 -25.05 64.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.375 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -91.19 -38.81 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 176.832 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.74 -17.09 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -169.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -31.92 -48.44 0.16 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.872 ' HA3' ' HE3' ' A' ' 3' ' ' LYS . . . -139.25 45.32 1.03 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.418 175.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -131.75 96.5 3.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 -177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.7 -50.7 54.43 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.981 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.65 -40.62 79.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.625 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -69.36 -36.76 77.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.883 -174.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.17 -39.04 93.16 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.788 177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.551 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -55.29 -51.62 54.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.363 175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.659 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.621 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 46.2 mmtt -69.6 -41.28 75.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.634 HG21 ' HD2' ' A' ' 49' ' ' TYR . 89.8 mt -61.75 -40.11 85.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.596 175.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.7 mt-30 -63.9 -27.13 68.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.299 0.571 . . . . 0.0 110.319 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.38 -54.34 5.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.017 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.542 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.9 mmp_? -65.72 -58.08 6.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.704 -173.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.6 m-85 -80.33 -46.4 16.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.081 0.467 . . . . 0.0 111.013 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.43 46.09 1.73 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.699 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.634 ' HD2' HG21 ' A' ' 43' ' ' ILE . 25.3 m-85 -91.16 169.79 10.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.982 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -85.32 155.35 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.178 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.21 -32.19 66.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.55 -56.12 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.428 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -69.24 -44.64 71.57 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.666 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.89 -46.52 81.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 mt-10 -65.09 -39.93 93.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.91 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.98 -40.78 90.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.7 t -63.56 -44.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.974 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 71.9 t -60.83 -39.54 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 122.487 0.315 . . . . 0.0 111.229 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 25.9 t70 -64.47 -54.0 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.605 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 91.3 t90 -56.42 -38.48 71.63 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 110.147 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.614 ' HB2' HH12 ' A' ' 68' ' ' ARG . 12.2 tt0 -52.2 -55.66 19.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.389 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.3 m -65.08 -29.7 70.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 30.0 mmt180 -64.71 -44.66 89.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.212 0.53 . . . . 0.0 110.71 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.474 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.1 m-80 -105.77 -49.52 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.273 -171.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.8 mm-40 81.19 -38.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.953 0.901 . . . . 0.0 112.193 174.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 9' ' ' ASN . 2.2 t80 -76.06 93.25 3.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.831 0.348 . . . . 0.0 110.097 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.614 HH12 ' HB2' ' A' ' 62' ' ' GLU . 13.6 ttp180 -179.07 -43.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.799 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 5.5 m-90 . . . . . 0 C--O 1.249 1.07 0 O-C-N 124.307 1.005 . . . . 0.0 110.516 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.898 0.38 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.409 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -100.57 122.29 43.0 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.376 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.938 ' HE2' ' HB3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -72.13 144.85 48.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -113.21 113.52 25.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.295 0.569 . . . . 0.0 110.759 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.06 137.06 52.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 172.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' A' ' 10' ' ' TRP . . . -161.74 27.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 -68.31 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.309 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.68 -63.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.071 -173.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -83.82 -32.88 25.07 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 122.729 -0.277 . . . . 0.0 110.845 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.488 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 43.8 t90 -57.01 -41.01 77.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.113 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.32 -45.72 79.34 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.785 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -67.2 -32.61 73.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.467 0.651 . . . . 0.0 109.877 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' VAL . 11.9 t80 -81.11 -44.26 18.2 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.557 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.535 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 39.4 ttpt -49.52 -49.69 44.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.189 176.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.99 -30.4 77.63 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.822 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.66 ' HB3' ' HZ2' ' A' ' 61' ' ' TRP . 46.1 tttt -80.95 -28.87 35.52 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.658 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' CE3' ' A' ' 21' ' ' TRP . 47.8 t -68.17 -31.1 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.41 173.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.7 mtpt -73.59 -23.91 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -71.26 -47.22 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.883 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -63.04 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 17' ' ' VAL . 32.5 m-90 -83.76 -74.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.933 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.6 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 85.95 -21.93 13.8 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.936 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 9.6 mmtt -70.0 -21.36 63.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.112 0.482 . . . . 0.0 110.459 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.588 ' HB2' ' HE1' ' A' ' 29' ' ' MET . 71.6 mt -85.07 138.93 32.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.3 p -104.53 -176.49 3.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.364 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -42.01 82.98 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.694 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.2 t70 -51.74 -54.37 29.2 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.421 0.45 . . . . 0.0 110.668 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.63 ' O ' HG13 ' A' ' 32' ' ' ILE . 10.7 m-20 -59.61 -49.36 78.05 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.24 -175.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.588 ' HE1' ' HB2' ' A' ' 24' ' ' LEU . 62.7 mtt -72.36 -19.35 61.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.978 -173.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.8 m -77.3 -26.88 52.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.178 0.514 . . . . 0.0 109.78 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.694 HG13 ' O ' ' A' ' 27' ' ' ASP . 3.7 mt -78.0 -26.94 14.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.351 0.596 . . . . 0.0 109.429 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.63 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.17 -51.46 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.13 -175.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 3.7 tm-20 68.87 -58.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.86 0.725 . . . . 0.0 111.716 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.89 22.62 0.03 OUTLIER Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 59.5 mttp -88.65 127.59 35.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 0.0 110.419 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -65.2 -44.18 89.17 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.01 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.96 -43.29 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.168 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.593 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 5.4 mm-40 -60.8 -40.31 92.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.836 -177.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.732 HD21 HH12 ' A' ' 68' ' ' ARG . 52.0 tp -63.37 -43.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.28 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 74.6 t -54.97 -46.14 76.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 110.187 177.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -59.08 -49.91 73.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.125 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' OE2' ' A' ' 45' ' ' GLU . 33.2 mmtt -62.52 -39.27 93.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 39' ' ' LEU . 88.4 mt -56.83 -47.46 82.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 110.332 174.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -67.72 -19.51 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.222 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 42' ' ' LYS . 41.8 mt-10 -90.9 -55.39 3.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.951 0.405 . . . . 0.0 111.581 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.81 -36.69 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.196 -170.472 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 88.0 m-85 -91.38 -46.53 7.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.488 0.661 . . . . 0.0 110.427 174.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.66 32.72 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.112 -172.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -79.0 171.43 15.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.462 0.648 . . . . 0.0 112.287 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -82.45 152.84 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.62 -34.94 71.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.337 0.589 . . . . 0.0 109.969 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.01 -56.34 20.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.84 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.21 -35.92 71.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.589 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.42 -47.48 81.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.255 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 59' ' ' VAL . 40.3 mt-10 -70.61 -34.48 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.308 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.13 -42.05 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.85 -34.6 78.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.878 0.37 . . . . 0.0 110.161 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 54' ' ' ALA . 54.8 t -61.0 -54.35 36.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 55' ' ' GLU . 88.3 t -56.08 -44.6 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.74 -61.6 2.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.526 0.679 . . . . 0.0 110.653 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.66 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.9 t90 -71.76 -24.28 61.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.76 -57.38 11.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.002 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.526 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 3.0 t -66.13 -19.32 65.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -174.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HD2' ' HA ' ' A' ' 61' ' ' TRP . 84.4 mtt180 -60.44 -42.36 95.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 40.3 m-80 -103.19 -59.45 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.448 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 65.0 mm-40 86.48 -35.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.063 0.945 . . . . 0.0 111.48 173.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -79.9 82.56 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.357 0.598 . . . . 0.0 110.931 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.732 HH12 HD21 ' A' ' 39' ' ' LEU . 16.3 ttm-85 -129.24 -36.43 1.72 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.98 175.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.938 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 21.0 t-105 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.154 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -86.26 123.03 31.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -176.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.625 ' NZ ' ' HA ' ' A' ' 69' ' ' TRP . 23.1 ttpp -92.74 131.6 37.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 170.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.2 151.64 46.67 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -113.08 110.94 21.29 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.597 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . . . 63.77 -70.58 0.07 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.165 0.916 . . . . 0.0 111.568 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.06 64.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.62 -11.51 59.49 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.044 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.687 HD21 ' HE1' ' A' ' 67' ' ' TYR . 11.5 p30 -69.75 -18.74 63.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 117.426 0.613 . . . . 0.0 110.916 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.662 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 44.5 p-90 -57.29 -50.08 74.04 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.367 -172.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.06 -33.37 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.427 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -78.95 -45.07 21.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 31.1 m-85 -82.43 -9.6 59.37 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 120.896 0.379 . . . . 0.0 111.486 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 40.1 mtmt -60.8 -41.75 96.24 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 165.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.62 -41.62 34.9 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.187 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 9.0 mptt -63.93 -47.78 79.17 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.688 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 25.8 t -66.44 -30.56 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.39 176.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 11.2 tmtt? -68.49 -32.79 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.918 0.39 . . . . 0.0 110.115 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 39.5 mt-10 -68.52 -29.43 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.382 0.611 . . . . 0.0 110.046 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 38.1 tp60 -70.63 -59.62 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.132 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.528 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -129.69 100.77 5.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.23 -179.728 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.25 -6.98 59.22 Favored Glycine 0 CA--C 1.517 0.174 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.752 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.704 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 tmtt? -70.96 -28.56 64.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.013 0.435 . . . . 0.0 110.185 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 ' HB3' ' SD ' ' A' ' 29' ' ' MET . 68.6 mt -72.42 145.16 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.026 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.686 ' O ' ' HG2' ' A' ' 29' ' ' MET . 40.3 p -122.71 -178.92 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -176.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -53.09 -44.35 67.49 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.689 ' O ' HG13 ' A' ' 31' ' ' ILE . 19.1 t70 -54.78 -50.98 67.17 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 14.7 m-20 -59.7 -54.32 47.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.096 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.688 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 31.3 mmm -56.93 -39.94 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.29 -174.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.2 m -68.0 -28.17 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.501 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.689 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -83.94 -30.77 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.103 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.636 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 51.7 mt -74.78 -68.31 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.03 -177.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 4.8 pt-20 47.37 -60.2 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.779 1.632 . . . . 0.0 114.638 -174.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -152.71 17.12 0.74 Allowed Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HD3' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -88.81 118.34 28.43 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.674 -177.263 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.583 ' HG3' ' NH2' ' A' ' 68' ' ' ARG . 2.7 tmt_? -63.74 -47.39 81.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.487 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.84 -34.06 77.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.376 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' HB3' HG12 ' A' ' 32' ' ' ILE . 33.2 mm-40 -64.34 -52.4 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.771 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 43' ' ' ILE . 35.5 tp -62.19 -39.39 92.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.646 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 70.6 t -53.36 -55.07 14.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.97 -41.91 98.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.267 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.629 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 43.2 mmtt -59.85 -45.35 92.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.5 mt -59.28 -44.63 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.919 0.39 . . . . 0.0 110.711 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 21.1 mt-30 -61.87 -26.43 68.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.637 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 53.8 mt-10 -96.26 -54.0 3.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.55 -44.14 97.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.707 -173.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.704 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 94.7 m-85 -89.56 -43.32 10.87 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.575 0.702 . . . . 0.0 109.965 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 99.45 47.93 1.75 Allowed Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.651 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HD2' HG23 ' A' ' 43' ' ' ILE . 22.7 m-85 -97.74 167.48 10.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.072 0.463 . . . . 0.0 111.104 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -82.77 156.76 23.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.898 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' OE1' ' A' ' 44' ' ' GLN . 18.4 ttpp -56.89 -36.19 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.324 0.39 . . . . 0.0 110.304 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.22 -55.47 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.149 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 51.6 tt0 -67.6 -41.69 83.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.405 -177.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.67 -47.03 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.168 -177.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' O ' HG21 ' A' ' 59' ' ' VAL . 39.4 mt-10 -61.95 -37.64 85.47 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.085 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.77 -43.34 94.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.794 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 75.6 mt-10 -73.22 -31.24 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.279 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.2 t -65.85 -44.98 92.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 55' ' ' GLU . 74.6 t -56.78 -41.62 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.184 0.302 . . . . 0.0 111.28 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.53 -48.44 81.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.412 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.86 -42.93 98.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.528 0.68 . . . . 0.0 110.11 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.96 -50.39 74.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.379 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 59' ' ' VAL . 12.2 t -79.97 -14.55 58.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -84.28 -43.25 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.17 -59.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 76.85 -12.08 1.1 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.626 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.687 ' HE1' HD21 ' A' ' 9' ' ' ASN . 11.9 t80 -71.7 100.1 2.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.583 ' NH2' ' HG3' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -114.31 -5.53 12.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.03 -170.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.625 ' HA ' ' NZ ' ' A' ' 3' ' ' LYS . 20.1 p90 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.72 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -74.93 122.87 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.719 ' HB2' ' HZ2' ' A' ' 3' ' ' LYS . 2.8 ttmp? -60.35 125.33 23.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.958 0.409 . . . . 0.0 110.817 -173.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.28 169.6 17.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.206 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.56 132.72 30.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.51 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.53 89.23 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.301 0.572 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.66 132.44 2.53 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.969 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.89 -72.23 2.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.394 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.598 HD21 ' HE2' ' A' ' 67' ' ' TYR . 28.9 p-10 -65.94 -36.96 84.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.168 0.509 . . . . 0.0 110.476 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.475 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 29.9 t-105 -69.75 -38.08 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.173 178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.17 -34.29 74.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.79 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.78 -42.11 91.17 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.83 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.67 ' HE2' ' HD2' ' A' ' 67' ' ' TYR . 16.3 m-85 -73.65 -36.79 65.43 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.985 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 54.7 mtpt -55.13 -42.18 72.66 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.691 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.02 -40.35 57.01 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.223 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 20.5 tptm -65.79 -42.95 90.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.059 0.456 . . . . 0.0 111.333 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.669 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 47.3 t -72.56 -25.84 23.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HG3' ' HE3' ' A' ' 29' ' ' MET . 42.7 mtpt -75.18 -18.78 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.368 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.28 -34.13 55.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.579 0.704 . . . . 0.0 109.186 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -70.76 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.774 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.584 ' HE3' ' HH ' ' A' ' 47' ' ' TYR . 1.4 m95 -127.8 96.66 4.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.846 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.34 -5.88 60.41 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.341 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.6 mmtt -75.39 -30.15 60.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.691 -0.3 . . . . 0.0 111.149 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 ' HG2' ' A' ' 46' ' ' ARG . 57.9 mt -70.96 137.93 49.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.836 -176.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -105.36 -170.55 1.76 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.753 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.76 -44.95 84.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.607 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.6 t70 -65.83 -38.28 88.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.312 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.675 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 46.5 m-20 -59.8 -54.46 45.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.067 0.461 . . . . 0.0 109.901 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.985 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 4.7 ttm -66.07 -33.12 75.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.08 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.1 m -54.87 -37.48 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.925 0.393 . . . . 0.0 110.655 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.5 mt -79.34 -24.83 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.111 0.482 . . . . 0.0 110.181 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.589 HD13 ' HG ' ' A' ' 39' ' ' LEU . 68.3 mt -80.61 -19.7 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 17.2 tt0 -28.08 -58.66 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.659 1.184 . . . . 0.0 113.49 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.59 ' HA2' ' HE2' ' A' ' 3' ' ' LYS . . . -123.15 20.21 7.59 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.388 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.0 mmtp -122.66 101.67 7.61 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.882 0.849 . . . . 0.0 111.721 -176.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -58.67 -43.08 89.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.346 176.223 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.77 -33.46 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.73 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 6.3 mm-40 -64.9 -42.05 95.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.544 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.687 ' HB2' HH22 ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.39 -40.71 97.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.718 177.574 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.7 t -55.44 -50.15 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.974 0.416 . . . . 0.0 110.049 175.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.11 98.41 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.591 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 60.4 mmtt -63.6 -42.41 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.1 mt -58.05 -45.74 88.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.166 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.5 mt-30 -61.73 -39.88 93.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.223 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.3 -39.22 15.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.89 -46.42 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.932 -173.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.739 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.0 m-85 -93.3 -46.04 7.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.392 0.615 . . . . 0.0 110.964 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.08 63.88 0.59 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.011 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' HD2' HG21 ' A' ' 43' ' ' ILE . 29.4 m-85 -120.0 162.22 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 0.0 110.745 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -79.51 155.88 28.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.65 -33.69 70.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.89 -54.16 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.92 178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -72.22 -34.08 68.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.206 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -61.75 -46.76 88.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' O ' HG22 ' A' ' 59' ' ' VAL . 49.1 mt-10 -64.6 -37.16 86.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.0 -44.39 97.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.99 -34.94 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 54' ' ' ALA . 74.3 t -63.34 -46.08 96.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.62 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 55' ' ' GLU . 86.5 t -61.11 -38.39 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.556 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.0 -51.74 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.213 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.581 ' HZ3' ' HD2' ' A' ' 68' ' ' ARG . 76.5 t90 -64.18 -39.46 94.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.483 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -55.23 -52.34 63.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.55 -177.07 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.589 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 14.2 t -70.65 -23.0 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.535 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -64.03 -43.29 96.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.749 0.309 . . . . 0.0 111.684 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.9 m-80 -103.84 -61.89 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.688 -171.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.589 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 54.5 mm-40 88.04 -32.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.25 0.969 . . . . 0.0 111.813 171.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.67 ' HD2' ' HE2' ' A' ' 13' ' ' PHE . 71.8 t80 -72.88 87.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.079 0.466 . . . . 0.0 110.365 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.687 HH22 ' HB2' ' A' ' 39' ' ' LEU . 69.3 ttt180 -156.09 2.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.66 -178.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.301 -174.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -97.87 147.15 24.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.401 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -73.01 150.87 42.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.18 138.44 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.08 128.15 34.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.731 0.777 . . . . 0.0 112.067 -170.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 10' ' ' TRP . . . -103.59 111.1 23.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.268 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.12 -53.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.426 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.15 -34.43 4.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.676 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.581 HD21 ' HE2' ' A' ' 67' ' ' TYR . 18.9 p-10 -70.98 -27.23 63.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.656 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.76 -38.0 89.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -61.24 -45.55 94.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.923 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.653 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 55.9 m-85 -81.64 -11.42 59.1 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 53.3 mtpt -63.31 -35.2 79.58 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.54 -45.66 28.28 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.479 173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 6.1 mptt -62.86 -44.46 96.05 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.564 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 95.5 t -62.74 -35.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.294 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -74.06 -26.81 60.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.745 -0.597 . . . . 0.0 111.41 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -70.07 -39.77 75.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 109.443 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 37.1 tp60 -59.12 -61.91 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.005 175.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.579 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 2.7 m95 -114.94 -70.29 0.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.27 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 -25.04 23.51 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.3 tmtt? -71.08 -8.71 55.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.415 0.626 . . . . 0.0 110.036 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 42' ' ' LYS . 89.9 mt -86.61 169.19 12.96 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.478 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.63 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 12.4 p -131.52 -173.49 3.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.037 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.4 t70 -64.2 -34.77 78.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 111.5 -176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.586 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.1 p30 -65.78 -19.86 66.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.857 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 13.0 t70 -71.48 -63.54 1.1 Allowed 'General case' 0 CA--C 1.492 -1.283 0 CA-C-O 122.339 1.066 . . . . 0.0 108.821 171.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.564 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -61.16 -37.24 82.18 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.572 -164.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.582 ' HA ' ' HZ3' ' A' ' 10' ' ' TRP . 27.5 m -67.36 -36.22 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.304 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.707 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 4.0 mt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 111.167 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 39' ' ' LEU . 1.7 mp -90.6 -20.17 6.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -171.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CD ' ' HZ3' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -39.25 -45.11 1.33 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 14.52 6.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.578 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.707 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 7.2 mptt -121.63 113.95 20.47 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.654 0.74 . . . . 0.0 111.566 -177.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -64.02 -43.67 94.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.28 -41.86 80.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' HB3' HD13 ' A' ' 32' ' ' ILE . 79.8 mm-40 -63.29 -46.39 86.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.857 -177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.584 HD22 HG12 ' A' ' 58' ' ' VAL . 37.4 tp -61.41 -34.39 75.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 81.6 t -55.33 -49.23 74.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.32 176.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.31 -48.4 83.83 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.635 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.857 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 69.8 mmtt -59.77 -47.1 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG23 ' HD2' ' A' ' 49' ' ' TYR . 68.1 mt -58.04 -40.95 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 50.0 mt-30 -63.76 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 58.8 mt-10 -89.67 -46.67 8.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.656 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' HG2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -72.06 -45.92 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.738 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 96.3 m-85 -92.84 -43.85 8.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.0 110.42 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.96 60.71 0.87 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.756 -174.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.515 ' HD2' HG23 ' A' ' 43' ' ' ILE . 32.1 m-85 -109.76 159.76 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -70.22 146.95 50.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.355 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 59.2 tttm -52.54 -38.45 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.348 0.405 . . . . 0.0 111.117 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.67 -52.81 62.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.022 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.47 -41.87 79.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.653 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.644 ' O ' HG22 ' A' ' 58' ' ' VAL . . . -57.4 -46.16 83.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.072 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 45.0 mt-10 -59.38 -43.48 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 110.479 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.97 -39.76 93.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.318 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -72.54 -31.42 65.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.116 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 54' ' ' ALA . 48.9 t -66.23 -49.89 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 174.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.05 -37.17 71.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.096 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.38 -47.05 85.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.321 0.581 . . . . 0.0 109.77 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.442 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 86.0 t90 -58.56 -43.3 89.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.024 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.17 -37.47 85.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.039 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.9 t -79.27 -19.78 49.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.76 0.314 . . . . 0.0 111.109 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -87.48 -42.71 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.2 m-80 -92.81 -34.53 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.671 -177.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 79.58 -41.63 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.692 166.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.653 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 42.8 t80 -85.63 86.87 7.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 111.833 -170.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -111.25 -18.67 12.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 72.9 t90 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.571 177.182 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.521 0.201 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -93.45 146.99 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.134 0.492 . . . . 0.0 111.235 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HG3' ' HA ' ' A' ' 69' ' ' TRP . 12.6 mptt -90.2 152.41 21.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.97 166.27 22.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 153.56 41.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.098 0.475 . . . . 0.0 111.369 -173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.64 90.19 5.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.03 113.81 1.38 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.494 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.76 -45.32 2.68 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.744 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -64.48 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.7 0.4 . . . . 0.0 111.256 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.535 ' HA ' ' OE2' ' A' ' 33' ' ' GLU . 62.8 p-90 -60.19 -38.21 82.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.807 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 110.878 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -79.17 -50.08 11.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.106 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.55 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 46.5 m-85 -81.47 -13.18 58.47 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.746 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.716 ' HE2' ' HB3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -58.73 -47.88 83.07 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.462 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.23 -44.24 76.51 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.312 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.5 mptp? -60.36 -50.72 72.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.656 ' HB ' ' HE2' ' A' ' 29' ' ' MET . 40.4 t -61.74 -34.71 63.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.771 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.541 ' HB3' ' HZ1' ' A' ' 18' ' ' LYS . 9.7 mtpm? -69.43 -23.18 63.65 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 41.2 mt-10 -69.77 -41.8 74.66 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -66.97 -53.23 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.631 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.812 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -138.37 108.39 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.14 -176.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 41.53 2.43 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.034 -0.603 . . . . 0.0 114.481 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.875 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 7.1 mttp -116.95 -29.6 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.283 0.541 . . . . 0.0 110.683 172.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.521 ' HG ' ' HH ' ' A' ' 47' ' ' TYR . 76.2 mt -63.27 124.97 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -106.11 -167.46 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.585 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.09 -45.17 64.73 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.753 0.421 . . . . 0.0 111.959 -174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.758 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.5 t70 -58.65 -55.92 28.91 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.066 0.46 . . . . 0.0 110.13 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.903 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.5 m-20 -59.01 -50.02 75.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.611 -173.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.716 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 1.9 mmt -60.42 -37.81 82.06 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.919 -174.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -77.2 -33.27 56.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.606 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.758 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.6 mt -69.02 -33.47 59.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.041 0.448 . . . . 0.0 110.581 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.543 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -84.48 -69.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.7 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.535 ' OE2' ' HA ' ' A' ' 10' ' ' TRP . 6.9 tp10 69.0 -59.84 0.47 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.311 1.007 . . . . 0.0 111.836 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.22 2.95 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 81.0 mttt -71.71 120.82 17.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.279 0.562 . . . . 0.0 110.363 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -67.69 -37.29 82.1 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.065 -175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.8 -40.6 97.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.094 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.2 mm-40 -70.5 -35.86 73.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.023 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.576 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -66.25 -41.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.652 177.163 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 78.2 t -54.95 -49.94 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 120.98 0.419 . . . . 0.0 109.974 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -59.29 -52.75 51.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.263 178.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.903 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 32.0 mmtt -60.1 -39.1 85.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 39' ' ' LEU . 61.3 mt -62.48 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.491 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.3 mt-30 -62.27 -42.04 98.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 64.4 mm-40 -78.65 -54.4 6.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.722 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.563 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 1.2 tpt180 -69.03 -44.11 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.414 0.626 . . . . 0.0 111.034 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.875 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 17.3 m-85 -94.75 -29.71 14.63 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.191 -171.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.64 55.43 2.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.052 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 43' ' ' ILE . 36.3 m-85 -116.94 162.09 18.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.832 0.348 . . . . 0.0 110.674 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.17 156.32 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.605 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -51.21 -39.6 56.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.628 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 24.3 t70 -56.33 -60.68 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.288 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.537 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 51.3 tt0 -66.43 -35.74 81.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.838 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.86 -46.9 82.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.266 -177.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.6 mt-10 -67.56 -29.06 68.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.964 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 97.4 mttt -58.84 -51.69 68.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 110.42 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.73 -36.92 84.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 54' ' ' ALA . 77.9 t -65.17 -48.96 81.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.319 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 55' ' ' GLU . 68.8 t -56.95 -39.5 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.91 -53.39 47.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.572 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.429 ' CZ2' HG21 ' A' ' 17' ' ' VAL . 63.2 t90 -58.41 -42.39 87.1 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.352 0.596 . . . . 0.0 109.78 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 25.0 tt0 -50.88 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.828 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.6 m -69.13 -25.46 64.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.101 -173.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -74.68 -42.56 58.23 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.624 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.909 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 75.55 -0.52 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.95 85.52 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -133.21 7.51 3.94 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.759 -173.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.458 ' HA ' ' HG3' ' A' ' 3' ' ' LYS . 42.7 p-90 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.439 -174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.363 0.125 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -77.32 -30.08 53.9 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.57 -45.43 77.33 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -73.48 -40.07 48.62 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.177 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 28.2 tptt -59.25 -53.04 62.82 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' CE3' ' A' ' 21' ' ' TRP . 58.2 t -61.67 -38.91 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.309 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 56.4 mtpt -70.63 -12.54 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.4 mt-10 -87.97 -47.51 8.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.177 0.513 . . . . 0.0 110.35 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.564 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.0 tp60 -70.25 -49.48 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.092 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.752 ' CH2' HD21 ' A' ' 39' ' ' LEU . 9.5 m-90 -94.82 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.14 -27.52 18.86 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.656 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 mmtt -69.96 -27.54 64.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.071 0.462 . . . . 0.0 110.268 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.05 137.37 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.123 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' MET . 54.5 p -98.51 174.31 6.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.24 -30.84 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.422 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.0 t70 -70.06 -42.53 72.72 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.642 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 24.6 m-20 -60.06 -44.71 94.51 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.793 0.806 . . . . 0.0 109.114 177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 29' ' ' MET . 1.3 mmt -53.95 -53.1 57.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.342 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 27' ' ' ASP . 14.8 t -63.84 -25.14 68.03 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -173.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.4 mt -75.83 -29.14 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.653 177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 38' ' ' GLN . 56.3 mt -79.27 -69.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 65.44 -60.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.126 0.891 . . . . 0.0 112.598 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.94 12.9 0.1 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.5 mptt -89.66 121.83 32.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.205 0.526 . . . . 0.0 110.451 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -61.48 -43.97 97.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.956 175.178 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.17 -44.57 96.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.196 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 1.5 mm-40 -61.91 -40.95 97.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' CH2' ' A' ' 21' ' ' TRP . 22.2 tp -63.34 -40.29 96.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.177 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.1 t -56.31 -47.57 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 175.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.53 -45.01 96.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.211 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 31.7 mmtt -62.56 -40.92 98.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 94.4 mt -59.32 -41.03 82.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.168 0.509 . . . . 0.0 110.012 175.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 42.4 mt-30 -74.05 -16.22 61.05 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.63 -54.44 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 111.225 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -45.76 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.157 -172.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.2 m-85 -87.53 -45.62 10.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.459 0.647 . . . . 0.0 109.902 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.67 30.3 7.29 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.275 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.8 m-85 -74.81 170.92 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.366 0.603 . . . . 0.0 111.466 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -89.01 164.81 14.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.422 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -57.6 -40.08 78.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.702 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.54 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.839 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tp60 -70.19 -38.42 75.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.77 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.88 -48.38 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.389 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 15.2 mt-10 -73.08 -25.7 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.061 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -59.42 -46.47 88.62 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.251 0.548 . . . . 0.0 109.814 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -73.1 -36.92 66.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.728 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 54' ' ' ALA . 53.5 t -60.75 -52.46 61.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 85.4 t -60.07 -42.58 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.708 0.289 . . . . 0.0 110.924 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.0 t70 -59.05 -56.36 23.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.847 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.3 t90 -63.14 -36.13 82.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -54.44 -58.65 6.64 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.679 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -61.5 -26.02 67.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.957 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 48.5 mtt180 -65.75 -39.58 91.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.242 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.57 -66.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.287 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.942 0.897 . . . . 0.0 112.203 174.371 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 65' ' ' ASN . 3.2 m-85 -82.69 -17.1 45.67 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -173.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 1.002 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 47.3 mtmt -65.39 -41.07 94.1 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.169 -1.012 . . . . 0.0 109.239 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.16 -36.73 34.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.671 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 19' ' ' GLU . 20.8 tptt -65.5 -47.55 75.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 111.035 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 21' ' ' TRP . 88.9 t -64.16 -30.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.544 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.0 mttm -67.37 -22.66 65.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.466 -0.493 . . . . 0.0 111.881 173.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 16' ' ' LYS . 45.6 mt-10 -74.04 -42.44 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.176 0.513 . . . . 0.0 110.45 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 8.8 tp60 -78.97 -51.0 10.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.751 ' CZ3' HD21 ' A' ' 39' ' ' LEU . 6.8 m-90 -102.27 -76.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 97.62 -32.52 6.7 Favored Glycine 0 CA--C 1.509 -0.301 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.587 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 tmtt? -69.75 -14.58 62.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.674 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 38.3 mt -78.04 174.64 10.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.645 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -141.56 -172.54 3.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.197 0.523 . . . . 0.0 111.489 -167.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.52 -34.53 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.633 ' O ' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -56.67 -55.18 37.32 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.339 176.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.7 -41.63 78.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -172.685 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.002 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 15.4 ttm -79.21 -15.26 58.32 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.536 -167.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.6 t -76.72 -25.16 53.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -84.37 -42.63 17.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.077 0.465 . . . . 0.0 109.913 175.769 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.63 HD11 ' HG2' ' A' ' 42' ' ' LYS . 1.3 mp -71.72 -70.39 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.364 -177.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 66.83 -58.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.843 0.714 . . . . 0.0 112.3 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.9 52.05 0.15 Allowed Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -126.91 128.07 45.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.04 0.448 . . . . 0.0 110.109 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -64.29 -52.4 58.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.964 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.81 -40.49 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.622 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 56.6 mm-40 -62.9 -46.39 88.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.047 -176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.751 HD21 ' CZ3' ' A' ' 21' ' ' TRP . 15.9 tp -63.22 -41.54 99.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.729 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.7 t -52.02 -45.13 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.296 175.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -46.9 93.5 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.478 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HG2' HD11 ' A' ' 32' ' ' ILE . 50.7 mmtt -66.95 -39.45 87.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 39' ' ' LEU . 29.4 mt -54.61 -45.54 72.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-O 121.001 0.429 . . . . 0.0 110.337 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 43.4 mt-30 -70.61 -22.44 62.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.295 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.15 -54.17 4.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.47 . . . . 0.0 111.286 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -73.54 -40.73 63.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.064 -170.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 92.4 m-85 -92.64 -43.87 8.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.869 0.843 . . . . 0.0 110.1 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.05 36.31 5.01 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.169 -171.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 16.3 m-85 -79.41 176.7 9.45 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.934 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -91.2 153.33 20.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.535 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -55.45 -33.17 63.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 0.0 110.272 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.68 -53.98 51.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.056 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.09 -37.87 75.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.407 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.96 -47.16 83.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.111 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.4 mt-10 -67.2 -39.18 86.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.94 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.71 -44.49 93.68 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.52 -34.82 70.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 54' ' ' ALA . 42.2 t -60.66 -53.05 54.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.65 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.8 t -58.3 -38.03 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 121.256 0.55 . . . . 0.0 110.881 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 27.7 t70 -67.81 -50.75 55.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.254 0.549 . . . . 0.0 110.743 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 79.1 t90 -62.48 -43.8 97.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.559 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 7.6 pt-20 -63.77 -38.27 90.46 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.047 -175.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.8 m -67.24 -31.39 71.71 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 31.9 mtt180 -67.66 -42.9 81.47 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.079 0.466 . . . . 0.0 111.226 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.582 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 47.1 m-80 -100.31 -50.96 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.089 -169.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 6.9 mm-40 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 123.97 0.908 . . . . 0.0 112.62 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 82.1 m-85 -77.71 -24.01 49.31 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.011 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -53.12 -46.68 68.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.66 -53.19 21.42 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.373 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.2 mptp? -55.71 -50.08 71.29 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.145 0.472 . . . . 0.0 112.138 -176.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.553 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 74.4 t -57.4 -40.58 75.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.264 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.41 -13.44 61.46 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 42.5 mt-10 -90.61 -37.93 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.191 0.52 . . . . 0.0 110.04 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.9 tp60 -80.28 -37.54 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.273 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.794 ' CH2' HD21 ' A' ' 39' ' ' LEU . 10.7 m-90 -105.57 -60.77 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.027 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.58 -27.67 4.15 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 119.986 -1.102 . . . . 0.0 113.453 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -69.72 -21.65 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 175.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 42' ' ' LYS . 55.1 mt -88.23 137.94 31.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.809 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.697 ' O ' ' HG2' ' A' ' 29' ' ' MET . 73.1 p -113.42 174.24 6.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 -174.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.97 -36.46 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -55.24 -51.35 66.88 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 174.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.665 ' O ' HG13 ' A' ' 32' ' ' ILE . 9.4 m-20 -60.58 -47.5 85.94 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.707 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' A' ' 25' ' ' THR . 38.0 mmm -60.0 -36.68 77.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.803 -176.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.3 m -59.61 -31.11 69.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.316 0.579 . . . . 0.0 110.361 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -89.16 -20.52 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.427 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.4 mt -86.87 -68.8 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.821 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 17.0 tt0 63.82 -60.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -179.76 35.39 0.07 OUTLIER Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.962 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 66.6 mmtt -97.82 118.46 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.34 -38.87 85.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.387 0.613 . . . . 0.0 109.905 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.666 ' O ' HG12 ' A' ' 40' ' ' VAL . 25.2 t70 -72.18 -36.57 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.228 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 25.5 mm-40 -61.39 -47.92 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.639 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.794 HD21 ' CH2' ' A' ' 21' ' ' TRP . 32.6 tp -64.72 -41.82 95.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -59.75 -40.13 81.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 110.24 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -74.93 -40.61 35.24 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.638 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.729 ' HB3' HD21 ' A' ' 24' ' ' LEU . 28.2 mmtt -64.59 -37.36 87.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -58.4 -49.49 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.907 0.384 . . . . 0.0 110.028 172.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.23 -28.85 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.271 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 48.8 mt-10 -80.06 -50.81 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.661 ' HG3' HD23 ' A' ' 24' ' ' LEU . 20.5 mmt180 -73.48 -44.05 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -172.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -90.99 -44.43 9.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.296 0.569 . . . . 0.0 110.617 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.77 57.57 1.03 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.975 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.463 ' HD2' HG22 ' A' ' 43' ' ' ILE . 13.9 m-85 -108.95 179.56 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.405 0.621 . . . . 0.0 111.52 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.45 155.39 18.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.85 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.22 -25.72 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 110.082 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.634 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 32.7 t70 -56.48 -60.71 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 176.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.769 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -46.96 87.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.234 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HG2' HG21 ' A' ' 40' ' ' VAL . 28.5 mt-10 -64.2 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.946 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 50.7 mtpt -59.75 -42.62 93.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -73.53 -40.11 64.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.241 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 67.8 t -60.51 -54.8 30.16 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.93 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.38 -37.55 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 13.9 t70 -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 90.6 t90 -65.5 -40.64 93.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -42.95 82.18 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.6 m -73.92 -22.98 59.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.456 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.8 mtt180 -70.0 -42.54 72.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 111.131 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -96.97 -48.32 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.147 0.499 . . . . 0.0 110.226 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.473 0.686 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.18 174.685 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.691 0.282 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 16' ' ' LYS . 76.6 m-85 -80.72 -11.85 59.56 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.829 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HG2' ' HB3' ' A' ' 29' ' ' MET . 36.6 mtmt -60.0 -44.84 94.28 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 166.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.16 39.33 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.042 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 61' ' ' TRP . 53.0 tptt -59.75 -50.12 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 ' CE3' ' A' ' 21' ' ' TRP . 77.9 t -61.98 -37.12 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.653 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.1 mtpt -71.34 -14.97 62.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -84.93 -41.51 15.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.029 0.443 . . . . 0.0 110.459 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 4.2 tp60 -76.77 -43.84 35.35 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.331 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CH2' HD21 ' A' ' 39' ' ' LEU . 18.6 m-90 -102.46 -75.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.3 34.24 Favored Glycine 0 CA--C 1.51 -0.262 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.111 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.6 tmtm? -70.58 -24.59 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 110.058 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 46' ' ' ARG . 77.1 mt -80.75 136.63 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.46 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -108.44 -175.52 2.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.03 -40.52 85.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.331 -173.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.783 ' O ' HG13 ' A' ' 31' ' ' ILE . 16.7 t70 -55.75 -50.81 69.4 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.3 175.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 32' ' ' ILE . 12.3 m-20 -60.08 -49.18 78.66 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.468 0.652 . . . . 0.0 109.927 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.693 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 1.4 mmt -61.93 -36.54 81.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.858 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 27' ' ' ASP . 6.1 t -72.6 -24.11 61.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.111 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.783 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.3 mt -79.23 -34.14 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 29.5 mt -81.86 -65.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.491 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER 58.25 -52.01 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.25 1.42 . . . . 0.0 112.174 -171.785 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.82 20.82 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 84.1 mttt -79.6 130.43 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.722 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.04 -59.63 4.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.818 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.76 -35.64 66.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.621 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.736 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.7 mm-40 -68.85 -42.04 77.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.54 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.808 HD21 ' CH2' ' A' ' 21' ' ' TRP . 19.9 tp -69.13 -44.42 72.39 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.098 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.734 HG22 HG21 ' A' ' 58' ' ' VAL . 93.4 t -55.33 -51.26 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.9 -50.22 67.7 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.19 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HG3' HD11 ' A' ' 32' ' ' ILE . 34.5 mmtt -59.26 -41.97 90.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' LEU . 98.2 mt -56.81 -48.87 80.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 110.705 174.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.8 mt-30 -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.267 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 57.8 mt-10 -86.72 -49.1 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.876 -174.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.1 tpt85 -66.37 -47.6 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.678 0.275 . . . . 0.0 111.385 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.9 m-85 -82.39 -45.57 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.0 110.467 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.96 3.2 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.838 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.18 172.58 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.56 160.77 14.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.525 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.33 -32.34 68.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.101 0.476 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.02 -54.96 40.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.435 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.6 -33.99 73.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.555 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.02 -47.19 75.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.273 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.92 -28.0 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -59.52 -49.33 78.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 110.05 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.94 -41.39 97.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.576 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.734 HG21 HG22 ' A' ' 40' ' ' VAL . 78.4 t -60.8 -60.24 2.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.379 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.03 -39.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.187 0.305 . . . . 0.0 111.806 -173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.745 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 12.4 t70 -64.6 -59.44 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.306 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.518 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.7 t90 -58.34 -37.65 75.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.33 0.586 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.69 -46.74 88.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.078 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.0 t -74.74 -18.57 60.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 110.96 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 34.3 mmt180 -70.66 -42.63 70.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.309 0.576 . . . . 0.0 110.38 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -102.93 -61.87 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -171.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.682 0.793 . . . . 0.0 112.716 176.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 91.6 m-85 -83.25 -9.25 59.23 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.586 -174.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -58.22 -48.15 81.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 167.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.15 -48.12 16.17 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.428 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.4 mptp? -60.9 -43.46 98.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 61.6 t -70.52 -30.35 42.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.416 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 29' ' ' MET . 52.4 mtpt -71.54 -20.95 61.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.462 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -72.79 -46.74 51.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 0.0 110.28 176.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -42.31 29.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 12.8 m-90 -120.25 87.74 2.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.7 30.77 2.52 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.838 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.2 tttt -117.42 -21.69 8.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.584 -0.363 . . . . 0.0 111.111 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 46' ' ' ARG . 69.8 mt -70.38 137.94 50.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.596 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.3 p -94.66 171.74 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.04 -39.1 77.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.726 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -61.01 -47.46 86.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.597 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.606 ' O ' HG13 ' A' ' 32' ' ' ILE . 73.5 m-20 -58.76 -48.83 79.88 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.098 0.475 . . . . 0.0 110.018 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.479 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 23.3 mmt -57.13 -40.72 77.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.6 m -69.6 -25.71 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.726 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.9 mt -81.56 -24.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.442 . . . . 0.0 110.051 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.64 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.175 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 15.1 tt0 67.48 -59.91 0.39 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.06 0.85 . . . . 0.0 111.648 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.97 21.52 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 62.1 mttp -88.56 132.52 34.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.135 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -48.98 72.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.831 -172.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.46 -33.71 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.126 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 19.7 mm-40 -62.13 -45.48 93.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.276 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.15 -46.41 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.894 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.0 t -54.87 -46.43 75.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.376 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.33 86.61 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.025 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG3' HD11 ' A' ' 32' ' ' ILE . 45.2 mmtt -59.59 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 39' ' ' LEU . 75.5 mt -56.11 -48.26 79.33 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.131 0.491 . . . . 0.0 110.535 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -64.71 -26.96 68.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.348 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -101.4 -41.98 6.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.661 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -67.77 -49.92 59.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 110.747 -176.202 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 84.3 m-85 -87.28 -45.3 10.74 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.753 0.787 . . . . 0.0 109.922 174.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 105.9 26.2 6.18 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.251 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.0 m-85 -74.15 159.71 32.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.0 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -76.27 163.03 27.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.308 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 23.1 ttpp -66.25 -24.91 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -56.66 -60.37 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.182 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 8.1 tp60 -63.31 -41.7 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.87 -48.48 79.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.599 -176.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 33.6 mt-10 -71.74 -33.96 69.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.145 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.66 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 110.792 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.3 -32.0 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 41.2 t -63.8 -47.84 89.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.979 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 93.9 t -60.1 -42.24 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.323 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.8 t70 -62.74 -54.36 40.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.131 0.491 . . . . 0.0 110.663 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.58 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.716 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 9.2 tp10 -49.12 -65.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.07 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.402 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 31.7 m -64.53 -23.22 67.2 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.03 -175.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 94.2 mtt-85 -68.88 -39.89 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.5 m-80 -102.2 -57.19 2.11 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.876 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.8 mm-40 . . . . . 0 N--CA 1.472 0.627 0 O-C-N 124.241 0.963 . . . . 0.0 111.068 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' O ' HG23 ' A' ' 17' ' ' VAL . 7.1 t80 -74.48 -39.4 62.49 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.255 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.765 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 50.5 mtmt -54.37 -42.78 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.748 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.55 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -61.52 -37.96 95.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.495 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HZ2' ' A' ' 61' ' ' TRP . 50.5 tptt -66.18 -42.14 89.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.764 HG22 ' CH2' ' A' ' 61' ' ' TRP . 12.8 t -66.79 -34.82 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.922 0.392 . . . . 0.0 110.3 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -71.58 -21.4 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.4 mt-10 -71.54 -35.92 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.751 172.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.33 -60.19 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.921 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 3.6 m95 -122.46 98.18 5.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.829 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.47 5.44 28.92 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.066 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.4 tmtp? -90.81 -19.39 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 110.614 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD23 ' HG2' ' A' ' 46' ' ' ARG . 18.5 mt -75.46 149.45 38.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.456 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 34.1 p -108.6 -176.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.31 -44.08 59.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.761 ' O ' HG12 ' A' ' 31' ' ' ILE . 4.8 t70 -54.37 -40.55 68.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.394 0.616 . . . . 0.0 110.227 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 3.1 t70 -58.62 -54.38 47.75 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.176 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.765 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 12.8 ttm -84.36 -15.43 46.45 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.433 -168.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -70.74 -36.06 72.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 109.76 169.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.761 HG12 ' O ' ' A' ' 27' ' ' ASP . 33.7 mm -71.82 -30.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.777 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.679 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 36.9 mt -76.69 -64.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.247 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 66.75 -58.31 0.39 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.634 0.773 . . . . 0.0 111.535 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.13 30.03 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.749 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 55.9 mmtt -96.55 128.65 43.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -63.73 -45.63 89.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.23 -37.98 82.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.577 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.779 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 29.5 mm-40 -65.52 -46.77 78.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.102 -176.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 43' ' ' ILE . 33.8 tp -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.339 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 89.2 t -52.02 -50.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.22 -48.07 85.34 Favored Glycine 0 CA--C 1.52 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.952 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 44.9 mmtt -58.75 -45.65 89.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.883 0.342 . . . . 0.0 111.572 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.521 HG22 ' HD2' ' A' ' 49' ' ' TYR . 77.4 mt -55.77 -42.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.5 mt-30 -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -84.19 -41.61 16.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 111.626 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 28' ' ' ASP . 2.8 mpt_? -80.55 -45.15 17.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.52 -169.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.5 m-85 -94.71 -34.38 12.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.34 0.59 . . . . 0.0 110.35 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 91.37 42.38 4.9 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.305 -175.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 43' ' ' ILE . 18.6 m-85 -82.99 161.93 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.143 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -73.98 147.18 43.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.383 171.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.0 ttpp -56.66 -32.53 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 110.04 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.21 -53.0 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.669 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.61 -34.58 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.595 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.81 -46.98 88.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 43.4 mt-10 -61.58 -39.27 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.06 -54.3 46.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.75 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -65.86 -33.06 74.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.774 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 54' ' ' ALA . 52.5 t -64.53 -57.06 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.792 176.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.26 -41.26 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.624 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 17.2 t70 -58.93 -64.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.276 0.56 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.764 ' CH2' HG22 ' A' ' 17' ' ' VAL . 86.7 t90 -65.98 -33.23 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.57 -55.45 29.23 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.643 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 m -62.23 -26.41 68.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.322 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 21.1 mmt180 -61.69 -42.68 99.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.848 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.1 m-80 -104.22 -45.09 4.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.046 -170.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 123.669 0.788 . . . . 0.0 113.001 166.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.665 0.269 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -84.79 -29.12 25.68 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.939 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 34.4 ttpt -57.29 -35.11 69.39 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.18 -49.66 38.58 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.548 173.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.16 -42.45 96.74 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.647 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 99.3 t -59.74 -38.31 75.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 174.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 58.5 mtpt -73.97 -13.52 60.89 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.642 0.258 . . . . 0.0 111.353 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 52.2 mt-10 -83.5 -37.5 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.521 ' CE3' HG13 ' A' ' 17' ' ' VAL . 20.9 m-90 -94.69 -76.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.223 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.83 -19.66 36.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.736 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.581 ' HD2' ' HG3' ' A' ' 46' ' ' ARG . 4.1 tmtp? -70.82 -20.78 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.405 0.621 . . . . 0.0 109.82 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 42' ' ' LYS . 86.4 mt -81.09 146.81 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.046 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 p -105.21 -173.12 2.23 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.31 -44.53 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.669 ' O ' HG13 ' A' ' 31' ' ' ILE . 21.7 t70 -66.11 -41.6 90.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.509 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 32' ' ' ILE . 19.9 m-20 -59.69 -52.43 65.52 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.476 0.655 . . . . 0.0 109.619 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.939 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 7.7 ttm -67.33 -32.43 73.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.049 -175.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m -62.92 -31.02 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.609 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.7 mt -74.38 -27.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.592 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -82.33 -77.31 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.644 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 66.08 -59.73 0.31 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.996 0.918 . . . . 0.0 112.032 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.45 -7.68 0.25 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.332 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 33.1 mmtp -70.77 113.35 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.0 111.296 -175.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -51.91 -49.02 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.869 173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -54.08 -48.74 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.238 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.751 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.3 mm-40 -62.59 -40.15 95.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.402 HD22 HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.66 -36.58 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.107 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -59.18 -47.73 89.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -47.24 91.49 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.182 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB3' HD21 ' A' ' 24' ' ' LEU . 55.6 mmtt -62.84 -45.76 91.1 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 96.3 mt -56.08 -48.2 79.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.792 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 54.0 mt-30 -57.52 -45.94 84.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.48 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.92 -27.51 17.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -169.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -76.38 -42.91 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.747 -178.132 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 71.4 m-85 -88.17 -46.41 9.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.522 0.677 . . . . 0.0 111.148 176.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.8 55.27 0.66 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.682 -170.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -112.68 169.74 8.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.181 0.515 . . . . 0.0 111.319 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -82.9 162.09 21.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.837 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 22.9 ttpp -59.98 -34.35 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.202 0.525 . . . . 0.0 110.057 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.09 -53.85 53.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.41 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.34 -41.42 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.901 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.61 -47.75 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.058 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 48.8 mt-10 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.011 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.92 -38.82 89.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.628 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -36.98 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -61.37 -48.22 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.461 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.4 t -60.57 -42.78 92.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.359 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.8 t70 -66.27 -49.98 65.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.764 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -64.59 -34.64 78.72 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.499 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -55.07 -49.32 71.94 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.7 t -73.39 -19.6 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.451 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 74.8 mtt180 -71.44 -44.53 64.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.388 . . . . 0.0 111.217 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -104.56 -56.26 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.47 0.555 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.524 174.66 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.245 0.545 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HE1' ' HB3' ' A' ' 65' ' ' ASN . 14.0 t80 -73.26 -35.93 66.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.566 -169.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HG3' ' HB3' ' A' ' 29' ' ' MET . 38.8 ttpt -50.94 -38.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.45 0.643 . . . . 0.0 109.772 173.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -65.4 -40.7 96.53 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.688 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -65.68 -36.74 84.51 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.91 0.355 . . . . 0.0 111.512 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.62 HG22 ' CH2' ' A' ' 61' ' ' TRP . 4.1 t -68.74 -37.58 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.411 0.624 . . . . 0.0 109.463 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.21 -22.78 60.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.18 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 49.1 mt-10 -71.18 -36.31 71.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.8 -62.56 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.386 0.612 . . . . 0.0 109.591 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -106.16 89.5 3.08 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.602 -178.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.17 54.75 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.744 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mttp -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.249 0.524 . . . . 0.0 111.339 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 42' ' ' LYS . 34.1 mt -71.51 122.19 20.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.458 -175.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 29' ' ' MET . 61.3 p -97.11 176.9 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.064 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.96 -35.65 75.41 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.675 ' O ' HG13 ' A' ' 31' ' ' ILE . 12.0 t70 -59.7 -46.96 87.51 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.751 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 16.5 m-20 -59.88 -49.54 77.31 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.31 0.576 . . . . 0.0 109.716 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.667 ' HB3' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -56.46 -39.61 73.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.818 -177.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.9 m -68.86 -36.24 77.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.615 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.9 mt -72.26 -36.26 55.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.248 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 28' ' ' ASP . 51.3 mt -68.74 -59.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 67.59 -58.51 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 124.242 0.964 . . . . 0.0 111.835 176.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.78 31.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 1.034 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 34.3 mmtp -103.27 129.4 50.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.654 0.264 . . . . 0.0 110.901 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -65.97 -46.17 79.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.877 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.67 -40.16 96.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.98 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 1.034 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.04 -40.59 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.581 -177.771 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.1 tp -66.26 -42.91 87.84 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.972 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 77.5 t -52.92 -47.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.17 -54.96 32.98 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.057 175.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 48.2 mmtt -59.3 -38.1 79.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 39' ' ' LEU . 79.7 mt -59.88 -47.41 91.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.521 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 21.1 mt-30 -75.91 -20.56 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.637 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 46.6 mt-10 -95.23 -39.42 10.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.438 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -74.85 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.652 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.8 m-85 -94.22 -45.14 7.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.431 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.63 48.86 1.74 Allowed Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.856 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 42.5 m-85 -86.85 165.63 15.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -79.12 155.2 28.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.543 174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.81 -29.15 69.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.034 0.445 . . . . 0.0 110.399 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.63 -53.39 58.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -73.92 -33.78 64.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.528 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.83 -47.4 84.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -54.76 -55.39 30.58 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.86 -40.38 88.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.88 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.574 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 33.9 mm-40 -66.7 -42.33 86.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.109 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 54' ' ' ALA . 78.8 t -63.95 -57.8 10.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.02 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.41 -43.69 78.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 30.5 t70 -63.55 -57.41 10.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.929 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.62 ' CH2' HG22 ' A' ' 17' ' ' VAL . 91.3 t90 -63.33 -39.83 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.89 -61.04 2.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.059 177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.54 -16.09 62.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.682 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 86.6 mtt-85 -72.66 -30.64 64.45 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.158 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.4 m-80 -102.52 -58.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.297 -174.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.0 mm-40 . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 123.301 0.64 . . . . 0.0 112.501 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 . . . . . 0 C--O 1.233 0.206 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 68.4 m-85 -81.5 -22.88 37.71 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.827 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 22.2 ttmm -55.88 -43.0 76.78 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 171.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.494 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.17 -44.94 21.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.612 176.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 3.8 mptp? -61.09 -46.16 91.75 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.9 0.35 . . . . 0.0 111.897 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 84.4 t -62.59 -42.91 97.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.494 177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 16.8 mtpt -68.82 -12.69 61.8 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 46.0 mt-10 -76.58 -44.38 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 110.203 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.31 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.816 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -119.99 98.59 6.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.744 -178.389 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.2 12.66 63.78 Favored Glycine 0 C--N 1.317 -0.511 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 tttt -87.09 -37.39 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.824 0.812 . . . . 0.0 110.247 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 47.6 mt -59.69 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.02 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -98.57 -177.1 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.81 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.8 -44.22 90.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.521 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.611 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -54.99 -47.84 74.08 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.664 ' O ' HG13 ' A' ' 32' ' ' ILE . 21.5 m-20 -60.06 -53.61 55.72 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.827 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 mtm -73.11 -16.39 61.46 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.8 -175.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m -66.54 -37.36 84.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.7 mt -78.03 -30.54 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.921 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.682 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 41.2 mt -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.147 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 66.03 -58.25 0.34 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.721 0.638 . . . . 0.0 111.156 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.39 29.81 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 21.8 mmtp -92.26 126.76 37.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.0 tmt_? -62.71 -43.19 99.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.27 -39.25 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.414 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.633 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 50.1 mm-40 -65.65 -49.95 66.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.054 -175.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.7 tp -65.56 -38.97 91.1 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.672 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 68.5 t -55.45 -50.82 63.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.819 0.342 . . . . 0.0 110.154 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -65.13 -45.11 92.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.396 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 32' ' ' ILE . 42.5 mmtt -60.13 -45.42 93.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.8 mt -59.3 -41.88 85.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.954 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.6 mt-30 -61.74 -43.58 98.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.12 0.485 . . . . 0.0 111.044 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 44.8 mt-10 -80.3 -53.16 6.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.561 -172.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.54 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.8 tpt180 -66.67 -44.5 81.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 110.817 -173.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.816 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 25.4 m-85 -95.59 -16.48 22.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.338 -171.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.72 40.83 10.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.007 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.2 m-85 -98.55 165.81 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.99 0.424 . . . . 0.0 110.526 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.87 161.73 13.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 19.2 ttpp -52.95 -38.31 61.89 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.422 0.451 . . . . 0.0 110.755 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.5 -60.83 2.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.663 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 38.2 tt0 -71.41 -32.94 68.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.741 -174.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -64.43 -47.19 80.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.313 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.3 mt-10 -65.34 -32.12 73.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 86.5 mttt -59.49 -47.65 84.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -65.41 -34.62 78.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 54' ' ' ALA . 85.8 t -66.38 -46.82 85.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLU . 70.6 t -62.54 -40.93 90.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.694 0.283 . . . . 0.0 111.601 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 13.9 t70 -66.38 -52.07 50.54 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.4 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 86.1 t90 -60.45 -38.97 85.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.94 -58.44 5.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.133 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -64.59 -23.16 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 29.4 mmt180 -63.41 -42.81 98.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.29 0.567 . . . . 0.0 110.141 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.63 -71.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.86 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 124.113 0.965 . . . . 0.0 111.828 177.684 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 77.7 m-85 -85.35 -24.42 27.61 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.996 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 29' ' ' MET . 34.7 ttpt -59.62 -38.76 82.17 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 170.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -72.02 -51.67 13.72 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.129 174.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 13.6 mptt -54.01 -52.46 60.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.644 ' HB ' ' HE3' ' A' ' 29' ' ' MET . 59.7 t -56.43 -43.68 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.033 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' TRP . 40.8 mtpt -72.83 -16.06 61.61 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.8 mt-10 -74.74 -29.84 61.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -57.08 3.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.751 ' HZ2' ' HG3' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -121.47 96.0 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.252 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.11 -6.05 72.91 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 113.993 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 13.5 mmtt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.032 0.416 . . . . 0.0 111.741 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 46' ' ' ARG . 66.2 mt -62.38 150.89 38.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.918 -178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 p -121.06 -175.32 3.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.355 -172.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.37 -33.46 73.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.029 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.17 -37.97 75.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.734 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 28.2 m-20 -67.89 -51.3 49.63 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 122.031 0.92 . . . . 0.0 109.163 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.644 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 58.2 tpp -60.66 -42.15 96.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.659 -1.61 . . . . 0.0 112.174 -171.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -62.85 -24.15 67.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.233 0.54 . . . . 0.0 110.855 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.54 -30.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.213 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 19.6 mt -85.68 -71.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.437 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.9 pp20? 50.26 -57.89 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.311 1.445 . . . . 0.0 113.443 -166.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 62.73 0.32 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.267 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.9 mptt -132.17 124.96 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.369 -0.489 . . . . 0.0 110.255 173.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 tmt_? -60.37 -39.67 88.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.63 -45.16 88.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.85 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 32.9 mm-40 -65.95 -41.98 90.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.006 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' O ' HG13 ' A' ' 43' ' ' ILE . 26.8 tp -66.76 -39.92 88.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.469 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 63.1 t -54.95 -50.61 60.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.178 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -48.61 85.37 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.118 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 24.6 mmtt -59.77 -42.45 93.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.7 mt -58.63 -40.47 79.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.798 177.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 18.1 mt-30 -66.81 -31.33 71.89 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -89.75 -36.74 15.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.498 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -78.46 -57.27 3.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.864 -174.642 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.69 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.4 m-85 -84.34 -46.14 12.06 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 110.882 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 112.25 25.87 4.54 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.497 -177.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.12 171.49 14.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.322 0.582 . . . . 0.0 111.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -88.55 165.28 14.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.635 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -57.59 -42.71 83.74 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.367 0.417 . . . . 0.0 111.086 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.92 -52.96 63.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.0 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -64.31 -38.64 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.669 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.97 -47.07 81.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.843 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.6 -37.95 74.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.16 0.288 . . . . 0.0 111.087 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 9.7 mtpm? -58.1 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.371 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.751 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 23.7 mm-40 -73.31 -27.6 61.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.312 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG22 ' HG ' ' A' ' 39' ' ' LEU . 73.0 t -68.49 -59.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.566 177.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.23 -33.65 51.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.3 t0 -62.29 -62.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.277 177.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.3 t90 -58.46 -41.48 85.28 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.591 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.43 -50.84 64.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.496 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -68.14 -28.07 66.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.985 0.421 . . . . 0.0 111.376 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mtt180 -67.42 -42.45 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 111.231 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 36.1 m-80 -102.72 -35.41 8.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.921 -172.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 10.2 mm-40 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 123.564 0.746 . . . . 0.0 112.331 171.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -82.6 -22.59 34.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.998 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.16 -45.92 89.73 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.658 -0.817 . . . . 0.0 108.844 169.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.23 -33.85 52.87 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 40.3 tptt -68.51 -49.55 58.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 83.0 t -60.68 -34.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.133 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 93.8 mttt -75.74 -13.16 60.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.8 0.334 . . . . 0.0 111.497 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.54 -47.09 9.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.43 0.633 . . . . 0.0 109.864 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 21' ' ' TRP . 4.0 tp60 -76.31 -37.61 57.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 9.9 m-90 -113.75 -74.62 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 80.34 -14.99 19.85 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.84 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.996 ' HG2' ' HB3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -72.85 -14.09 61.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.299 0.571 . . . . 0.0 109.639 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 42' ' ' LYS . 20.4 mt -89.17 151.81 21.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.921 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 29' ' ' MET . 41.6 p -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.925 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -37.01 77.52 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -169.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.3 t70 -60.51 -41.57 94.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.252 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' ILE . 66.7 m-20 -61.94 -49.6 75.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.351 0.596 . . . . 0.0 109.549 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 25' ' ' THR . 29.8 mmm -55.41 -35.97 65.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.393 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.4 m -68.87 -29.27 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.168 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -85.93 -22.0 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 28' ' ' ASP . 57.5 mt -86.43 -62.33 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.451 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.58 -57.95 0.31 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.87 0.731 . . . . 0.0 111.206 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.22 18.89 0.03 OUTLIER Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.2 125.82 30.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.813 0.339 . . . . 0.0 110.124 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -59.64 -48.97 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.216 -176.336 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.67 -31.85 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -63.58 -46.46 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.661 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -65.27 -39.36 92.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.077 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 72.4 t -54.17 -52.71 35.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 110.374 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.81 -44.44 95.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.229 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.848 ' HB3' HD21 ' A' ' 24' ' ' LEU . 52.1 mmtt -65.29 -38.58 90.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 90.8 mt -62.75 -38.16 80.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.3 mt-30 -68.75 -20.2 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 31.5 mt-10 -90.89 -49.75 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.285 0.564 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.996 ' HB3' ' HG2' ' A' ' 23' ' ' LYS . 15.7 mmt180 -71.78 -55.87 6.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.175 -172.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 95.9 m-85 -89.71 -45.46 9.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.364 0.602 . . . . 0.0 109.637 176.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.17 41.17 2.66 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.535 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.527 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 76.2 m-85 -85.63 161.13 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -72.84 153.99 40.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -51.9 -42.93 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.316 0.385 . . . . 0.0 111.683 -175.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.96 -48.37 75.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.398 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 53.7 tt0 -76.03 -32.65 59.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.18 -45.96 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.204 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HG2' HG21 ' A' ' 40' ' ' VAL . 49.9 mt-10 -59.93 -35.81 75.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.81 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 59.8 tttp -59.58 -43.61 93.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.924 0.392 . . . . 0.0 110.325 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 21' ' ' TRP . 1.4 mm-40 -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.779 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.54 HG11 ' HG2' ' A' ' 36' ' ' ARG . 86.9 t -62.38 -47.84 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.0 t -64.66 -35.74 75.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.073 0.463 . . . . 0.0 110.731 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.75 -53.95 49.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.807 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -61.47 -40.58 95.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.791 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 59' ' ' VAL . 9.1 tt0 -55.05 -52.11 64.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 m -65.05 -29.67 70.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.27 -39.81 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.836 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.8 m-80 -98.76 -56.49 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.256 -174.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 42.3 mm-40 . . . . . 0 N--CA 1.475 0.819 0 O-C-N 124.508 1.13 . . . . 0.0 112.309 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HE2' ' HB3' ' A' ' 65' ' ' ASN . 46.8 m-85 -87.32 -18.01 31.11 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 170.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.53 -47.73 11.86 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.168 175.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -60.85 -43.75 97.92 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.23 -46.59 81.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.354 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 59.7 mttm -64.87 -24.79 67.64 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -68.0 -29.89 69.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.04 0.448 . . . . 0.0 110.334 176.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -63.25 1.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.647 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -121.08 96.1 4.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.997 179.237 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . -76.43 -10.54 85.6 Favored Glycine 0 C--N 1.319 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.693 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.37 -24.26 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.973 0.387 . . . . 0.0 110.982 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' OD2' ' A' ' 28' ' ' ASP . 14.5 mt -67.89 156.84 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.36 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 57.5 p -127.33 -167.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 111.744 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.83 -42.12 41.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.429 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.5 p-10 -68.14 -15.15 63.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.321 0.581 . . . . 0.0 110.229 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.823 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 11.1 t70 -75.08 -53.57 8.64 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 122.463 1.125 . . . . 0.0 109.078 173.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpp -75.2 -26.26 58.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 113.12 -1.855 . . . . 0.0 112.436 -168.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -69.19 -26.05 64.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.377 0.608 . . . . 0.0 110.033 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 27' ' ' ASP . 22.6 mm -83.67 -35.18 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.755 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 38.8 mt -90.06 -81.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.346 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER 54.2 -47.95 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.599 1.56 . . . . 0.0 113.896 -173.214 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.77 33.4 0.97 Allowed Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 67.5 mmtt -108.17 114.52 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.43 . . . . 0.0 110.456 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -65.42 -51.8 57.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.407 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.89 -35.8 77.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.043 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 13.2 mm-40 -64.45 -33.06 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.56 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HA ' HD13 ' A' ' 32' ' ' ILE . 46.1 tp -68.58 -40.44 80.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.809 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 87.6 t -54.16 -50.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.05 -49.63 73.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.79 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.823 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 40.7 mmtt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.956 0.378 . . . . 0.0 111.943 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.78 -45.15 91.45 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.982 0.42 . . . . 0.0 110.661 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 25.3 mt-30 -63.06 -23.71 67.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -91.55 -47.04 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.388 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.576 HH21 ' HB2' ' A' ' 28' ' ' ASP . 1.1 mpt_? -73.75 -46.31 46.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.95 -174.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.8 m-85 -94.07 -35.71 12.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.493 0.663 . . . . 0.0 110.413 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 89.16 59.19 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.239 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.43 ' H ' ' HA ' ' A' ' 44' ' ' GLN . 15.4 m-85 -104.45 169.31 8.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 0.0 111.104 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -84.94 156.52 21.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 13.3 ttpt -60.85 -27.53 68.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 110.074 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.0 -60.25 3.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.793 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.575 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 43.6 tt0 -68.83 -40.31 79.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.141 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.88 -47.32 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.841 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' OE1' ' HE3' ' A' ' 51' ' ' LYS . 33.4 mt-10 -65.07 -42.05 94.53 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.66 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 24.9 mm-40 -65.69 -40.92 92.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 54' ' ' ALA . 72.8 t -63.23 -51.02 76.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.8 t -59.04 -39.22 77.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.622 0.249 . . . . 0.0 111.427 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 23.0 t70 -60.55 -57.7 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.97 -40.67 94.27 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.76 -50.06 74.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 m -67.87 -24.34 65.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.1 mtt-85 -69.57 -42.01 75.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.078 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 50.0 m-80 -102.24 -58.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.666 -173.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.475 0.816 0 C-N-CA 123.841 0.856 . . . . 0.0 112.53 176.459 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.483 0.182 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.61 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 23.5 m-85 -85.33 -29.58 24.38 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 1.079 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 53.3 mtpt -59.23 -41.37 88.5 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.73 -35.94 74.44 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.965 173.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 8.1 tptp -66.29 -47.29 74.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.796 0.298 . . . . 0.0 111.639 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 16.7 t -67.44 -27.82 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.235 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 60.6 mtpt -73.92 -25.83 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.341 176.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.3 mt-10 -66.95 -45.44 77.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 21.8 tp60 -57.71 -62.52 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.166 176.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.803 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -115.27 -69.91 0.83 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.24 -12.5 64.37 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.079 174.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.3 tmtp? -73.24 -13.69 61.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD23 ' HG2' ' A' ' 46' ' ' ARG . 71.7 mt -76.86 -178.22 4.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.579 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 28' ' ' ASP . 25.3 p -136.44 173.17 11.99 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.294 -170.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.931 -177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -73.09 -41.57 63.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.755 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' ' 32' ' ' ILE . 2.7 p30 -61.72 -43.34 99.04 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.112 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 1.079 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 28.0 ttm -79.28 -18.15 53.26 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.737 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.8 m -60.14 -32.27 70.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 109.355 167.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.5 mt -89.71 -31.03 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.334 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 28' ' ' ASP . 64.3 mt -73.81 -15.67 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -27.9 -59.06 0.11 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.432 1.082 . . . . 0.0 112.953 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.04 21.03 5.88 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.324 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.7 mmtp -115.38 99.58 7.49 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 111.382 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -37.96 80.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.399 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -43.34 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.048 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.7 mm-40 -65.68 -47.87 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.987 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.753 ' HG ' HG22 ' A' ' 58' ' ' VAL . 22.3 tp -60.84 -38.89 87.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.683 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.9 t -56.42 -53.03 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.438 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.13 -41.49 99.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.228 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' HD11 ' A' ' 32' ' ' ILE . 52.7 mmtt -65.12 -41.3 94.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' A' ' 49' ' ' TYR . 82.1 mt -63.57 -39.17 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 49.7 mt-30 -64.82 -24.89 67.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.191 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 49.6 mt-10 -93.17 -45.28 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.61 -44.44 57.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -173.212 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 91.3 m-85 -93.88 -39.49 10.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.438 0.637 . . . . 0.0 110.106 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.9 52.96 1.7 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.823 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.645 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.4 m-85 -98.07 175.39 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.272 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -92.25 167.06 12.28 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 62.2 tttp -57.69 -40.31 79.19 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.344 0.403 . . . . 0.0 110.546 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.61 -52.25 66.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.9 -45.96 86.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.689 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.77 -46.93 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 50.5 mt-10 -60.03 -40.77 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.992 -178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.93 -45.65 91.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.02 -39.98 83.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.792 0.33 . . . . 0.0 110.998 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.753 HG22 ' HG ' ' A' ' 39' ' ' LEU . 98.9 t -62.69 -49.62 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.364 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.74 -32.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.774 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.695 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 11.3 t70 -64.92 -54.5 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.471 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 85.6 t90 -54.76 -39.98 68.9 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.336 0.589 . . . . 0.0 110.112 175.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -57.93 -40.47 80.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.466 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 60' ' ' ASP . 5.0 t -80.35 -20.03 45.08 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.982 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 25.4 mmt180 -74.99 -44.27 49.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.512 . . . . 0.0 111.011 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.2 m-80 -104.77 -40.65 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.311 -172.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 41.5 mt-10 . . . . . 0 N--CA 1.474 0.735 0 C-N-CA 123.894 0.878 . . . . 0.0 112.196 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.6 tp-100 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 21.1 m-85 -79.19 -21.66 46.05 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.637 ' O ' ' HE1' ' A' ' 29' ' ' MET . 22.7 ttmm -57.77 -45.43 85.96 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 168.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -66.06 -45.4 87.62 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.265 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 29.3 mmmt -58.27 -52.39 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 84.9 t -56.92 -35.43 47.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.7 mtpt -75.9 -28.68 58.17 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.689 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.9 mt-10 -70.74 -38.69 73.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -55.63 -61.16 2.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.449 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.779 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.19 10.54 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 119.975 -1.107 . . . . 0.0 114.748 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 8.7 mttt -69.86 -34.76 74.02 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 117.634 0.717 . . . . 0.0 110.849 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 49.8 mt -59.7 141.62 54.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.905 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.602 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 28.0 p -117.15 -175.1 2.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.164 -169.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -56.04 -36.73 68.34 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.844 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.7 t70 -59.05 -42.23 89.79 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.602 ' HB3' ' O ' ' A' ' 25' ' ' THR . 2.6 t70 -58.02 -62.23 1.97 Allowed 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.577 1.179 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.637 ' HE1' ' O ' ' A' ' 14' ' ' LYS . 4.0 mtp -61.54 -34.74 76.06 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 112.512 -2.131 . . . . 0.0 110.344 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.3 m -67.06 -32.36 73.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.539 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.844 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.9 mt -86.17 -35.11 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.757 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -77.83 -66.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.636 -174.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 64.83 -59.24 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.287 0.635 . . . . 0.0 112.534 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.03 43.17 0.11 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 121.104 -0.569 . . . . 0.0 111.779 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -122.68 128.8 51.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.728 HH21 ' HG2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -58.25 -51.23 70.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.43 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.562 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 11.8 t70 -63.16 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 -172.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.7 mm-40 -68.83 -45.41 71.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.492 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.68 -34.58 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.221 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG21 ' HE ' ' A' ' 36' ' ' ARG . 76.3 t -57.06 -46.92 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.25 -53.86 39.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.489 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 29.8 mmtt -67.08 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -175.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.589 HG22 ' HD2' ' A' ' 49' ' ' TYR . 67.4 mt -56.0 -38.47 53.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.044 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.4 mt-30 -63.96 -44.04 93.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.029 0.443 . . . . 0.0 110.26 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.68 -53.85 40.89 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.806 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.3 tpt180 -76.49 -43.57 39.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.782 -168.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.886 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 12.3 m-85 -95.75 -23.69 16.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.71 -170.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.53 25.4 25.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.541 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' HD2' HG22 ' A' ' 43' ' ' ILE . 26.8 m-85 -85.8 163.87 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -90.0 161.63 15.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.183 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 21.0 ttpp -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.596 0.56 . . . . 0.0 111.006 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.73 -53.68 53.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.05 -43.25 88.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.429 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.02 -46.05 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.327 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HG2' HH21 ' A' ' 36' ' ' ARG . 45.0 mt-10 -55.31 -48.69 73.74 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.22 -35.49 81.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.556 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.49 -37.51 65.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.281 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' ALA . 88.1 t -65.82 -46.3 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.111 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 55' ' ' GLU . 94.0 t -59.4 -36.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.425 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.2 t70 -63.27 -49.8 72.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.24 176.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -55.35 -45.77 76.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.735 0.779 . . . . 0.0 110.159 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -65.13 -37.32 87.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.612 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 t -81.31 -14.91 56.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.425 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 52.5 mtt180 -89.19 -42.17 11.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 0.0 111.099 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 34.4 m-80 -92.95 -47.6 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.254 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.473 0.68 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.334 169.096 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--O 1.233 0.193 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 49.6 m-85 -84.73 -11.33 56.04 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.409 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' HE1' ' A' ' 29' ' ' MET . 42.5 mtpt -60.08 -41.95 93.53 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 166.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -70.12 -47.36 45.85 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.927 175.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.1 mptp? -63.29 -46.76 85.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 24' ' ' LEU . 91.3 t -64.2 -34.57 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' CE ' ' A' ' 29' ' ' MET . 11.5 mmmm -72.08 -28.97 63.66 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.032 -0.417 . . . . 0.0 111.072 176.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 51.7 mt-10 -65.24 -47.0 78.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.495 0.664 . . . . 0.0 109.324 170.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.615 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 33.1 tp60 -50.85 -60.74 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.792 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.825 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -122.95 -55.8 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.101 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.06 -28.29 6.76 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.234 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 7.3 mmtt -70.6 -6.86 39.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.247 0.546 . . . . 0.0 110.445 176.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.809 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 4.9 mt -74.27 -178.46 3.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.688 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 p -149.8 155.46 40.13 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.835 -0.166 . . . . 0.0 110.9 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.71 -35.37 30.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . 8.9 t70 -58.29 -39.67 79.91 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.117 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.809 ' OD2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.41 -47.85 69.05 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -178.001 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.63 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 2.8 mtp -69.15 -29.1 67.05 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.158 -164.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.1 t -68.69 -25.05 64.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.375 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -91.19 -38.81 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 176.832 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -81.74 -17.09 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -169.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -31.92 -48.44 0.16 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.25 45.32 1.03 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.418 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 75.4 mmtt -131.75 96.5 3.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.7 -50.7 54.43 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.981 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.65 -40.62 79.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.625 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 26.3 mm-40 -69.36 -36.76 77.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.883 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 24' ' ' LEU . 44.1 tp -64.17 -39.04 93.16 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.788 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -55.29 -51.62 54.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.363 175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.659 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 46.2 mmtt -69.6 -41.28 75.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 49' ' ' TYR . 89.8 mt -61.75 -40.11 85.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.596 175.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.1 mt-30 -63.9 -27.13 68.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.299 0.571 . . . . 0.0 110.319 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.38 -54.34 5.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.017 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.9 mmp_? -65.72 -58.08 6.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.704 -173.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.6 m-85 -80.33 -46.4 16.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.081 0.467 . . . . 0.0 111.013 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.43 46.09 1.73 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.699 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 43' ' ' ILE . 25.3 m-85 -91.16 169.79 10.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.982 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -85.32 155.35 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.178 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.21 -32.19 66.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.55 -56.12 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.428 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -69.24 -44.64 71.57 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.666 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.89 -46.52 81.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 mt-10 -65.09 -39.93 93.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.91 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.98 -40.78 90.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.7 t -63.56 -44.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.974 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 71.9 t -60.83 -39.54 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 122.487 0.315 . . . . 0.0 111.229 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 25.9 t70 -64.47 -54.0 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 91.3 t90 -56.42 -38.48 71.63 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 110.147 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 12.2 tt0 -52.2 -55.66 19.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.389 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.3 m -65.08 -29.7 70.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 30.0 mmt180 -64.71 -44.66 89.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.212 0.53 . . . . 0.0 110.71 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.512 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.1 m-80 -105.77 -49.52 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.273 -171.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.8 mm-40 . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 123.953 0.901 . . . . 0.0 112.193 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.467 0.651 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.9 t80 -81.11 -44.26 18.2 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.557 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 39.4 ttpt -49.52 -49.69 44.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.189 176.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -63.99 -30.4 77.63 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.822 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HB3' ' HZ2' ' A' ' 61' ' ' TRP . 46.1 tttt -80.95 -28.87 35.52 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.658 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' CE3' ' A' ' 21' ' ' TRP . 47.8 t -68.17 -31.1 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.41 173.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.7 mtpt -73.59 -23.91 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 54.1 mt-10 -71.26 -47.22 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.883 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -63.04 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 17' ' ' VAL . 32.5 m-90 -83.76 -74.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.933 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.61 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 85.95 -21.93 13.8 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.936 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 9.6 mmtt -70.0 -21.36 63.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.112 0.482 . . . . 0.0 110.459 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.07 138.93 32.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.3 p -104.53 -176.49 3.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.364 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -42.01 82.98 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.719 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.2 t70 -51.74 -54.37 29.2 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.421 0.45 . . . . 0.0 110.668 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 32' ' ' ILE . 10.7 m-20 -59.61 -49.36 78.05 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.24 -175.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.559 ' SD ' ' HG3' ' A' ' 14' ' ' LYS . 62.7 mtt -72.36 -19.35 61.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.978 -173.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.8 m -77.3 -26.88 52.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.178 0.514 . . . . 0.0 109.78 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.719 HG13 ' O ' ' A' ' 27' ' ' ASP . 3.7 mt -78.0 -26.94 14.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.351 0.596 . . . . 0.0 109.429 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.17 -51.46 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.13 -175.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 3.7 tm-20 68.87 -58.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.86 0.725 . . . . 0.0 111.716 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.89 22.62 0.03 OUTLIER Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 59.5 mttp -88.65 127.59 35.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 0.0 110.419 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -65.2 -44.18 89.17 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.01 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.96 -43.29 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.168 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 5.4 mm-40 -60.8 -40.31 92.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.836 -177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.523 HD21 ' CH2' ' A' ' 21' ' ' TRP . 52.0 tp -63.37 -43.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.28 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 74.6 t -54.97 -46.14 76.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 110.187 177.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -59.08 -49.91 73.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.125 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' OE2' ' A' ' 45' ' ' GLU . 33.2 mmtt -62.52 -39.27 93.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 39' ' ' LEU . 88.4 mt -56.83 -47.46 82.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 110.332 174.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -67.72 -19.51 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.222 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 42' ' ' LYS . 41.8 mt-10 -90.9 -55.39 3.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.951 0.405 . . . . 0.0 111.581 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.81 -36.69 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.196 -170.472 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 88.0 m-85 -91.38 -46.53 7.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.488 0.661 . . . . 0.0 110.427 174.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.66 32.72 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.112 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -79.0 171.43 15.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.462 0.648 . . . . 0.0 112.287 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -82.45 152.84 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.62 -34.94 71.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.337 0.589 . . . . 0.0 109.969 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.01 -56.34 20.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.84 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.21 -35.92 71.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.42 -47.48 81.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.255 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mt-10 -70.61 -34.48 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.308 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.13 -42.05 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.85 -34.6 78.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.878 0.37 . . . . 0.0 110.161 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 54' ' ' ALA . 54.8 t -61.0 -54.35 36.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 55' ' ' GLU . 88.3 t -56.08 -44.6 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.74 -61.6 2.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.526 0.679 . . . . 0.0 110.653 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.649 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.9 t90 -71.76 -24.28 61.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.76 -57.38 11.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.002 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.535 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 3.0 t -66.13 -19.32 65.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -174.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' A' ' 61' ' ' TRP . 84.4 mtt180 -60.44 -42.36 95.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 40.3 m-80 -103.19 -59.45 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.448 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.535 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 65.0 mm-40 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 124.063 0.945 . . . . 0.0 111.48 173.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 31.1 m-85 -82.43 -9.6 59.37 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 120.896 0.379 . . . . 0.0 111.486 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 29' ' ' MET . 40.1 mtmt -60.8 -41.75 96.24 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 165.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.62 -41.62 34.9 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.187 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 9.0 mptt -63.93 -47.78 79.17 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.693 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 25.8 t -66.44 -30.56 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.39 176.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 11.2 tmtt? -68.49 -32.79 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.918 0.39 . . . . 0.0 110.115 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 39.5 mt-10 -68.52 -29.43 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.382 0.611 . . . . 0.0 110.046 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 38.1 tp60 -70.63 -59.62 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.132 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -129.69 100.77 5.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.23 -179.728 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.25 -6.98 59.22 Favored Glycine 0 CA--C 1.517 0.174 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.752 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 tmtt? -70.96 -28.56 64.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.013 0.435 . . . . 0.0 110.185 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' SD ' ' A' ' 29' ' ' MET . 68.6 mt -72.42 145.16 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.026 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' MET . 40.3 p -122.71 -178.92 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -176.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -53.09 -44.35 67.49 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.71 ' O ' HG13 ' A' ' 31' ' ' ILE . 19.1 t70 -54.78 -50.98 67.17 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 14.7 m-20 -59.7 -54.32 47.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.096 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.693 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 31.3 mmm -56.93 -39.94 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.29 -174.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.2 m -68.0 -28.17 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.501 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -83.94 -30.77 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.103 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.644 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 51.7 mt -74.78 -68.31 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.03 -177.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 4.8 pt-20 47.37 -60.2 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.779 1.632 . . . . 0.0 114.638 -174.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -152.71 17.12 0.74 Allowed Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -88.81 118.34 28.43 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.674 -177.263 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.7 tmt_? -63.74 -47.39 81.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.487 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.84 -34.06 77.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.376 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' HB3' HG12 ' A' ' 32' ' ' ILE . 33.2 mm-40 -64.34 -52.4 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.771 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 43' ' ' ILE . 35.5 tp -62.19 -39.39 92.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.646 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.632 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 70.6 t -53.36 -55.07 14.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.97 -41.91 98.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.267 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 43.2 mmtt -59.85 -45.35 92.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.5 mt -59.28 -44.63 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.919 0.39 . . . . 0.0 110.711 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 21.1 mt-30 -61.87 -26.43 68.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.637 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 53.8 mt-10 -96.26 -54.0 3.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.55 -44.14 97.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.707 -173.158 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 94.7 m-85 -89.56 -43.32 10.87 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.575 0.702 . . . . 0.0 109.965 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 99.45 47.93 1.75 Allowed Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.651 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HD2' HG22 ' A' ' 43' ' ' ILE . 22.7 m-85 -97.74 167.48 10.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.072 0.463 . . . . 0.0 111.104 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -82.77 156.76 23.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.898 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' OE1' ' A' ' 44' ' ' GLN . 18.4 ttpp -56.89 -36.19 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.324 0.39 . . . . 0.0 110.304 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.22 -55.47 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.149 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 51.6 tt0 -67.6 -41.69 83.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.405 -177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.67 -47.03 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.168 -177.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.4 mt-10 -61.95 -37.64 85.47 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.085 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.77 -43.34 94.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.794 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 75.6 mt-10 -73.22 -31.24 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.279 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.2 t -65.85 -44.98 92.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 55' ' ' GLU . 74.6 t -56.78 -41.62 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.184 0.302 . . . . 0.0 111.28 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.53 -48.44 81.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.412 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.86 -42.93 98.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.528 0.68 . . . . 0.0 110.11 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.96 -50.39 74.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.379 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 59' ' ' VAL . 12.2 t -79.97 -14.55 58.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -84.28 -43.25 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.17 -59.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.471 0.611 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.626 174.302 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.456 0.17 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.3 m-85 -73.65 -36.79 65.43 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.98 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 54.7 mtpt -55.13 -42.18 72.66 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.691 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.02 -40.35 57.01 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.223 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 20.5 tptm -65.79 -42.95 90.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.059 0.456 . . . . 0.0 111.333 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.667 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 47.3 t -72.56 -25.84 23.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 42.7 mtpt -75.18 -18.78 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.368 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.28 -34.13 55.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.579 0.704 . . . . 0.0 109.186 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -70.76 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.774 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.5 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.4 m95 -127.8 96.66 4.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.846 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.34 -5.88 60.41 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.341 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.6 mmtt -75.39 -30.15 60.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.691 -0.3 . . . . 0.0 111.149 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 46' ' ' ARG . 57.9 mt -70.96 137.93 49.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.836 -176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -105.36 -170.55 1.76 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.753 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.76 -44.95 84.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.6 t70 -65.83 -38.28 88.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.312 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 46.5 m-20 -59.8 -54.46 45.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.067 0.461 . . . . 0.0 109.901 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.98 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 4.7 ttm -66.07 -33.12 75.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.08 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.1 m -54.87 -37.48 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.925 0.393 . . . . 0.0 110.655 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.5 mt -79.34 -24.83 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.111 0.482 . . . . 0.0 110.181 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.613 HD13 ' HG ' ' A' ' 39' ' ' LEU . 68.3 mt -80.61 -19.7 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -28.08 -58.66 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.659 1.184 . . . . 0.0 113.49 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' HD3' ' A' ' 35' ' ' LYS . . . -123.15 20.21 7.59 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.388 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.0 mmtp -122.66 101.67 7.61 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.882 0.849 . . . . 0.0 111.721 -176.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -43.08 89.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.346 176.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.77 -33.46 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.752 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 6.3 mm-40 -64.9 -42.05 95.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.544 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -63.39 -40.71 97.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.718 177.574 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.7 t -55.44 -50.15 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.974 0.416 . . . . 0.0 110.049 175.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.11 98.41 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.591 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 60.4 mmtt -63.6 -42.41 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.1 mt -58.05 -45.74 88.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.166 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 45.9 mt-30 -61.73 -39.88 93.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.223 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.3 -39.22 15.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.89 -46.42 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.932 -173.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.0 m-85 -93.3 -46.04 7.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.392 0.615 . . . . 0.0 110.964 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.08 63.88 0.59 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.011 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 43' ' ' ILE . 29.4 m-85 -120.0 162.22 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 0.0 110.745 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -79.51 155.88 28.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.65 -33.69 70.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.89 -54.16 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.92 178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -72.22 -34.08 68.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.206 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.75 -46.76 88.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.1 mt-10 -64.6 -37.16 86.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.0 -44.39 97.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.99 -34.94 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ALA . 74.3 t -63.34 -46.08 96.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.62 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.5 t -61.11 -38.39 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.556 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.0 -51.74 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.213 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' CE2' HG22 ' A' ' 17' ' ' VAL . 76.5 t90 -64.18 -39.46 94.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.483 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -55.23 -52.34 63.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.55 -177.07 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.597 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 14.2 t -70.65 -23.0 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.535 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -64.03 -43.29 96.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.749 0.309 . . . . 0.0 111.684 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.9 m-80 -103.84 -61.89 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.688 -171.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 54.5 mm-40 . . . . . 0 N--CA 1.477 0.897 0 O-C-N 124.25 0.969 . . . . 0.0 111.813 171.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 m-85 -81.64 -11.42 59.1 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 29' ' ' MET . 53.3 mtpt -63.31 -35.2 79.58 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.54 -45.66 28.28 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.479 173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 6.1 mptt -62.86 -44.46 96.05 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 95.5 t -62.74 -35.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.294 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -74.06 -26.81 60.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.745 -0.597 . . . . 0.0 111.41 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -70.07 -39.77 75.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 109.443 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 37.1 tp60 -59.12 -61.91 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.005 175.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 2.7 m95 -114.94 -70.29 0.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.27 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 -25.04 23.51 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.3 tmtt? -71.08 -8.71 55.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.415 0.626 . . . . 0.0 110.036 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 42' ' ' LYS . 89.9 mt -86.61 169.19 12.96 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.478 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 12.4 p -131.52 -173.49 3.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.037 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.4 t70 -64.2 -34.77 78.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 111.5 -176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.567 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.1 p30 -65.78 -19.86 66.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.89 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 13.0 t70 -71.48 -63.54 1.1 Allowed 'General case' 0 CA--C 1.492 -1.283 0 CA-C-O 122.339 1.066 . . . . 0.0 108.821 171.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.566 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -61.16 -37.24 82.18 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.572 -164.606 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.5 m -67.36 -36.22 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.721 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 4.0 mt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 111.167 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 38' ' ' GLN . 1.7 mp -90.6 -20.17 6.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -171.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.25 -45.11 1.33 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 14.52 6.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.578 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.721 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 7.2 mptt -121.63 113.95 20.47 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.654 0.74 . . . . 0.0 111.566 -177.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -64.02 -43.67 94.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.28 -41.86 80.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HB3' HD12 ' A' ' 32' ' ' ILE . 79.8 mm-40 -63.29 -46.39 86.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.857 -177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.647 HD23 HG13 ' A' ' 58' ' ' VAL . 37.4 tp -61.41 -34.39 75.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 81.6 t -55.33 -49.23 74.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.32 176.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.31 -48.4 83.83 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.635 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 69.8 mmtt -59.77 -47.1 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' HD2' ' A' ' 49' ' ' TYR . 68.1 mt -58.04 -40.95 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 50.2 mt-30 -63.76 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 58.8 mt-10 -89.67 -46.67 8.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.656 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -72.06 -45.92 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.738 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 96.3 m-85 -92.84 -43.85 8.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.0 110.42 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.96 60.71 0.87 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.756 -174.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' HD2' HG22 ' A' ' 43' ' ' ILE . 32.1 m-85 -109.76 159.76 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -70.22 146.95 50.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.355 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 59.2 tttm -52.54 -38.45 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.348 0.405 . . . . 0.0 111.117 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.67 -52.81 62.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.022 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.47 -41.87 79.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.653 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.4 -46.16 83.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.072 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 45.0 mt-10 -59.38 -43.48 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 110.479 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.97 -39.76 93.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.318 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -72.54 -31.42 65.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.116 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 54' ' ' ALA . 48.9 t -66.23 -49.89 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 174.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.05 -37.17 71.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.096 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.38 -47.05 85.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.321 0.581 . . . . 0.0 109.77 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 20' ' ' GLN . 86.0 t90 -58.56 -43.3 89.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.024 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.17 -37.47 85.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.039 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.9 t -79.27 -19.78 49.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.76 0.314 . . . . 0.0 111.109 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -87.48 -42.71 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.2 m-80 -92.81 -34.53 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.671 -177.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 . . . . . 0 N--CA 1.47 0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.692 166.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 46.5 m-85 -81.47 -13.18 58.47 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.746 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.742 ' HE2' ' HB3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -58.73 -47.88 83.07 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.462 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.611 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.23 -44.24 76.51 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.312 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.5 mptp? -60.36 -50.72 72.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 13' ' ' PHE . 40.4 t -61.74 -34.71 63.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.771 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -69.43 -23.18 63.65 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 41.2 mt-10 -69.77 -41.8 74.66 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -66.97 -53.23 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.631 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.852 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -138.37 108.39 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.14 -176.503 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 41.53 2.43 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.034 -0.603 . . . . 0.0 114.481 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 7.1 mttp -116.95 -29.6 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.283 0.541 . . . . 0.0 110.683 172.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 28' ' ' ASP . 76.2 mt -63.27 124.97 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -106.11 -167.46 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.585 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.09 -45.17 64.73 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.753 0.421 . . . . 0.0 111.959 -174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.773 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.5 t70 -58.65 -55.92 28.91 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.066 0.46 . . . . 0.0 110.13 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.911 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.5 m-20 -59.01 -50.02 75.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.611 -173.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.742 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 1.9 mmt -60.42 -37.81 82.06 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.919 -174.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -77.2 -33.27 56.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.606 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.773 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.6 mt -69.02 -33.47 59.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.041 0.448 . . . . 0.0 110.581 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -84.48 -69.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.7 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 69.0 -59.84 0.47 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.311 1.007 . . . . 0.0 111.836 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.22 2.95 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 81.0 mttt -71.71 120.82 17.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.279 0.562 . . . . 0.0 110.363 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -67.69 -37.29 82.1 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.065 -175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.8 -40.6 97.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.094 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.2 mm-40 -70.5 -35.86 73.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.023 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -66.25 -41.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.652 177.163 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 78.2 t -54.95 -49.94 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 120.98 0.419 . . . . 0.0 109.974 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -59.29 -52.75 51.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.263 178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 32.0 mmtt -60.1 -39.1 85.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 39' ' ' LEU . 61.3 mt -62.48 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.491 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -62.27 -42.04 98.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 64.4 mm-40 -78.65 -54.4 6.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.722 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 1.2 tpt180 -69.03 -44.11 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.414 0.626 . . . . 0.0 111.034 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 17.3 m-85 -94.75 -29.71 14.63 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.191 -171.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.64 55.43 2.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.052 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' HD2' HG22 ' A' ' 43' ' ' ILE . 36.3 m-85 -116.94 162.09 18.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.832 0.348 . . . . 0.0 110.674 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.17 156.32 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.605 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -51.21 -39.6 56.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.628 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 24.3 t70 -56.33 -60.68 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.288 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 51.3 tt0 -66.43 -35.74 81.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.838 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.86 -46.9 82.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.266 -177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.6 mt-10 -67.56 -29.06 68.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.964 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 97.4 mttt -58.84 -51.69 68.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 110.42 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.73 -36.92 84.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ALA . 77.9 t -65.17 -48.96 81.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.319 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLU . 68.8 t -56.95 -39.5 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.91 -53.39 47.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.572 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 63.2 t90 -58.41 -42.39 87.1 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.352 0.596 . . . . 0.0 109.78 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 25.0 tt0 -50.88 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.828 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.6 m -69.13 -25.46 64.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.101 -173.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -74.68 -42.56 58.23 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.624 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.909 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 169.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -69.83 159.37 33.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.26 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 23.4 tptm -64.38 123.83 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.777 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.41 165.05 21.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -72.29 145.34 47.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.044 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.05 39.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.18 123.74 4.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.147 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -68.98 2.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.859 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' GLN . 4.4 p-10 -65.6 -22.82 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.57 0.7 . . . . 0.0 110.484 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.425 ' CZ2' ' HB3' ' A' ' 29' ' ' MET . 9.9 t-105 -66.46 -35.88 81.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.599 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.04 -28.28 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 50.3 tt0 -67.87 -50.72 54.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.844 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 62.1 m-85 -77.32 -30.08 53.9 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.57 -45.43 77.33 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -73.48 -40.07 48.62 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.177 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HA ' ' HD2' ' A' ' 16' ' ' LYS . 28.2 tptt -59.25 -53.04 62.82 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' CE3' ' A' ' 21' ' ' TRP . 58.2 t -61.67 -38.91 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.309 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 56.4 mtpt -70.63 -12.54 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.4 mt-10 -87.97 -47.51 8.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.177 0.513 . . . . 0.0 110.35 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.564 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.0 tp60 -70.25 -49.48 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.092 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.752 ' CH2' HD21 ' A' ' 39' ' ' LEU . 9.5 m-90 -94.82 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.14 -27.52 18.86 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.656 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 mmtt -69.96 -27.54 64.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.071 0.462 . . . . 0.0 110.268 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.05 137.37 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.123 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' MET . 54.5 p -98.51 174.31 6.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.24 -30.84 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.422 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.0 t70 -70.06 -42.53 72.72 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.642 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 24.6 m-20 -60.06 -44.71 94.51 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.793 0.806 . . . . 0.0 109.114 177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 29' ' ' MET . 1.3 mmt -53.95 -53.1 57.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.342 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 27' ' ' ASP . 14.8 t -63.84 -25.14 68.03 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -173.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.4 mt -75.83 -29.14 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.653 177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 38' ' ' GLN . 56.3 mt -79.27 -69.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 65.44 -60.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.126 0.891 . . . . 0.0 112.598 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' ARG . . . -162.94 12.9 0.1 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.5 mptt -89.66 121.83 32.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.205 0.526 . . . . 0.0 110.451 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -61.48 -43.97 97.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.956 175.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.17 -44.57 96.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.196 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 1.5 mm-40 -61.91 -40.95 97.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' CH2' ' A' ' 21' ' ' TRP . 22.2 tp -63.34 -40.29 96.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.177 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.1 t -56.31 -47.57 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 175.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.53 -45.01 96.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.211 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 31.7 mmtt -62.56 -40.92 98.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 94.4 mt -59.32 -41.03 82.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.168 0.509 . . . . 0.0 110.012 175.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 42.4 mt-30 -74.05 -16.22 61.05 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.63 -54.44 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 111.225 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -45.76 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.157 -172.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.2 m-85 -87.53 -45.62 10.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.459 0.647 . . . . 0.0 109.902 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.67 30.3 7.29 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.275 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.8 m-85 -74.81 170.92 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.366 0.603 . . . . 0.0 111.466 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -89.01 164.81 14.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.422 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -57.6 -40.08 78.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.702 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.54 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.839 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tp60 -70.19 -38.42 75.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.77 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.88 -48.38 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.389 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 15.2 mt-10 -73.08 -25.7 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.061 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -59.42 -46.47 88.62 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.251 0.548 . . . . 0.0 109.814 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -73.1 -36.92 66.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.728 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 54' ' ' ALA . 53.5 t -60.75 -52.46 61.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 85.4 t -60.07 -42.58 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.708 0.289 . . . . 0.0 110.924 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.0 t70 -59.05 -56.36 23.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.847 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.3 t90 -63.14 -36.13 82.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' HD3' ' A' ' 68' ' ' ARG . 3.9 tp10 -54.44 -58.65 6.64 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.679 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -61.5 -26.02 67.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.957 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 48.5 mtt180 -65.75 -39.58 91.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.242 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.57 -66.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.287 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 78.04 -1.8 2.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.942 0.897 . . . . 0.0 112.203 174.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 37.2 t80 -83.4 71.26 10.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 1.4 tpt180 -109.52 -22.87 11.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -173.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.5 p90 . . . . . 0 C--O 1.242 0.661 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.67 -177.594 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -61.07 134.6 57.23 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HG2' ' OXT' ' A' ' 69' ' ' TRP . 7.6 tmtm? -79.68 131.77 36.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.873 -176.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.65 119.03 8.46 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.281 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.52 141.2 57.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.842 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.2 125.87 30.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.046 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -61.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.778 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.9 -21.7 25.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.728 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . 24.9 p-10 -79.64 -11.41 59.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.801 -0.199 . . . . 0.0 111.077 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -61.0 -52.12 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 111.038 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -82.19 -39.09 23.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 64.7 tt0 -61.65 -49.12 77.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.838 -174.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 65' ' ' ASN . 3.2 m-85 -82.69 -17.1 45.67 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -173.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 1.002 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 47.3 mtmt -65.39 -41.07 94.1 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.169 -1.012 . . . . 0.0 109.239 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.16 -36.73 34.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.671 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 19' ' ' GLU . 20.8 tptt -65.5 -47.55 75.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 111.035 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 21' ' ' TRP . 88.9 t -64.16 -30.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.544 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.0 mttm -67.37 -22.66 65.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.466 -0.493 . . . . 0.0 111.881 173.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 16' ' ' LYS . 45.6 mt-10 -74.04 -42.44 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.176 0.513 . . . . 0.0 110.45 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 8.8 tp60 -78.97 -51.0 10.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.751 ' CZ3' HD21 ' A' ' 39' ' ' LEU . 6.8 m-90 -102.27 -76.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 97.62 -32.52 6.7 Favored Glycine 0 CA--C 1.509 -0.301 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.587 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 tmtt? -69.75 -14.58 62.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.674 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 38.3 mt -78.04 174.64 10.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.645 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -141.56 -172.54 3.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.197 0.523 . . . . 0.0 111.489 -167.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.52 -34.53 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.633 ' O ' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -56.67 -55.18 37.32 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.339 176.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.7 -41.63 78.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -172.685 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.002 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 15.4 ttm -79.21 -15.26 58.32 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.536 -167.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.6 t -76.72 -25.16 53.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -84.37 -42.63 17.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.077 0.465 . . . . 0.0 109.913 175.769 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.63 HD11 ' HG2' ' A' ' 42' ' ' LYS . 1.3 mp -71.72 -70.39 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.364 -177.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 66.83 -58.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.843 0.714 . . . . 0.0 112.3 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.9 52.05 0.15 Allowed Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -126.91 128.07 45.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.04 0.448 . . . . 0.0 110.109 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -64.29 -52.4 58.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.964 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.81 -40.49 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.622 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 56.6 mm-40 -62.9 -46.39 88.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.047 -176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.751 HD21 ' CZ3' ' A' ' 21' ' ' TRP . 15.9 tp -63.22 -41.54 99.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.729 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.7 t -52.02 -45.13 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.296 175.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -46.9 93.5 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.478 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HG2' HD11 ' A' ' 32' ' ' ILE . 50.7 mmtt -66.95 -39.45 87.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 39' ' ' LEU . 29.4 mt -54.61 -45.54 72.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-O 121.001 0.429 . . . . 0.0 110.337 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 43.4 mt-30 -70.61 -22.44 62.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.295 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.15 -54.17 4.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.47 . . . . 0.0 111.286 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -73.54 -40.73 63.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.064 -170.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 92.4 m-85 -92.64 -43.87 8.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.869 0.843 . . . . 0.0 110.1 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.05 36.31 5.01 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.169 -171.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 16.3 m-85 -79.41 176.7 9.45 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.934 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -91.2 153.33 20.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.535 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -55.45 -33.17 63.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 0.0 110.272 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.68 -53.98 51.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.056 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.09 -37.87 75.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.407 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.96 -47.16 83.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.111 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.4 mt-10 -67.2 -39.18 86.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.94 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.71 -44.49 93.68 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.52 -34.82 70.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 54' ' ' ALA . 42.2 t -60.66 -53.05 54.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.65 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.8 t -58.3 -38.03 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 121.256 0.55 . . . . 0.0 110.881 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 27.7 t70 -67.81 -50.75 55.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.254 0.549 . . . . 0.0 110.743 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 79.1 t90 -62.48 -43.8 97.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.559 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 7.6 pt-20 -63.77 -38.27 90.46 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.047 -175.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.8 m -67.24 -31.39 71.71 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 31.9 mtt180 -67.66 -42.9 81.47 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.079 0.466 . . . . 0.0 111.226 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.582 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 47.1 m-80 -100.31 -50.96 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.089 -169.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 6.9 mm-40 83.85 -1.71 1.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.97 0.908 . . . . 0.0 112.62 172.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 13' ' ' PHE . 7.9 m-85 -84.15 74.76 10.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.604 0.716 . . . . 0.0 109.453 168.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' HE ' ' HB3' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -133.33 -25.97 1.7 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.587 -177.683 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.516 ' OXT' ' HG2' ' A' ' 3' ' ' LYS . 61.0 p-90 . . . . . 0 C--O 1.245 0.834 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.578 0.228 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.94 133.27 47.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.519 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 20.1 pttm -66.96 131.1 45.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 0.0 111.339 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -112.94 116.58 30.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.916 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 1.2 tt0 -63.64 159.54 18.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 5' ' ' GLU . . . 79.15 13.75 1.15 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.67 -1.15 . . . . 0.0 113.279 166.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' H ' ' HD1' ' A' ' 10' ' ' TRP . . . -145.45 62.81 0.47 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.085 175.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.44 -138.73 8.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.8 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.675 ' ND2' ' HE1' ' A' ' 67' ' ' TYR . 3.6 p-10 -65.27 -36.53 84.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.454 0.645 . . . . 0.0 110.761 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.741 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -59.12 -34.33 71.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.645 175.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 52.3 tttp -66.74 -27.0 67.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.287 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -74.8 -35.21 62.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 82.1 m-85 -77.71 -24.01 49.31 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.011 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 22.6 ttmm -53.12 -46.68 68.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 166.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.66 -53.19 21.42 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.373 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.2 mptp? -55.71 -50.08 71.29 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.145 0.472 . . . . 0.0 112.138 -176.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.553 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 74.4 t -57.4 -40.58 75.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.264 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.41 -13.44 61.46 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 42.5 mt-10 -90.61 -37.93 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.191 0.52 . . . . 0.0 110.04 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.9 tp60 -80.28 -37.54 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.273 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.794 ' CH2' HD21 ' A' ' 39' ' ' LEU . 10.7 m-90 -105.57 -60.77 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.027 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.58 -27.67 4.15 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 119.986 -1.102 . . . . 0.0 113.453 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -69.72 -21.65 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 175.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 42' ' ' LYS . 55.1 mt -88.23 137.94 31.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.809 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.697 ' O ' ' HG2' ' A' ' 29' ' ' MET . 73.1 p -113.42 174.24 6.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 -174.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.97 -36.46 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -55.24 -51.35 66.88 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 174.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.665 ' O ' HG13 ' A' ' 32' ' ' ILE . 9.4 m-20 -60.58 -47.5 85.94 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.707 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' A' ' 25' ' ' THR . 38.0 mmm -60.0 -36.68 77.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.803 -176.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.3 m -59.61 -31.11 69.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.316 0.579 . . . . 0.0 110.361 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -89.16 -20.52 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.427 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.4 mt -86.87 -68.8 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.821 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.916 ' HA ' ' HG3' ' A' ' 5' ' ' GLU . 17.0 tt0 63.82 -60.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -179.76 35.39 0.07 OUTLIER Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.962 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 66.6 mmtt -97.82 118.46 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.34 -38.87 85.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.387 0.613 . . . . 0.0 109.905 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.666 ' O ' HG12 ' A' ' 40' ' ' VAL . 25.2 t70 -72.18 -36.57 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.228 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 25.5 mm-40 -61.39 -47.92 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.639 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.794 HD21 ' CH2' ' A' ' 21' ' ' TRP . 32.6 tp -64.72 -41.82 95.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -59.75 -40.13 81.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 110.24 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -74.93 -40.61 35.24 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.638 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.729 ' HB3' HD21 ' A' ' 24' ' ' LEU . 28.2 mmtt -64.59 -37.36 87.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -58.4 -49.49 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.907 0.384 . . . . 0.0 110.028 172.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.23 -28.85 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.271 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 48.8 mt-10 -80.06 -50.81 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.661 ' HG3' HD23 ' A' ' 24' ' ' LEU . 20.5 mmt180 -73.48 -44.05 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -172.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -90.99 -44.43 9.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.296 0.569 . . . . 0.0 110.617 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.77 57.57 1.03 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.975 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.463 ' HD2' HG22 ' A' ' 43' ' ' ILE . 13.9 m-85 -108.95 179.56 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.405 0.621 . . . . 0.0 111.52 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.45 155.39 18.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.85 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.22 -25.72 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 110.082 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.634 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 32.7 t70 -56.48 -60.71 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 176.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.769 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -46.96 87.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.234 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HG2' HG21 ' A' ' 40' ' ' VAL . 28.5 mt-10 -64.2 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.946 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 50.7 mtpt -59.75 -42.62 93.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -73.53 -40.11 64.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.241 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 67.8 t -60.51 -54.8 30.16 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.93 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.38 -37.55 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 13.9 t70 -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 90.6 t90 -65.5 -40.64 93.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -42.95 82.18 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.6 m -73.92 -22.98 59.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.456 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.8 mtt180 -70.0 -42.54 72.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 111.131 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -96.97 -48.32 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.147 0.499 . . . . 0.0 110.226 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 78.29 -44.44 0.39 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.675 ' HE1' ' ND2' ' A' ' 9' ' ' ASN . 36.8 t80 -70.53 105.82 3.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -127.97 16.97 6.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.203 0.525 . . . . 0.0 109.938 -176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.161 -177.903 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -81.9 124.62 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.899 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 69' ' ' TRP . 14.6 ptmm? -81.99 131.86 35.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 0.0 110.129 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -79.05 117.77 20.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.663 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -96.74 136.74 36.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.159 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.855 ' HA ' ' HB2' ' A' ' 10' ' ' TRP . . . 66.75 144.98 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 123.919 0.762 . . . . 0.0 111.306 -175.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.85 81.38 1.08 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.081 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.2 -68.11 1.96 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' ' HE2' ' A' ' 67' ' ' TYR . 4.8 p-10 -64.87 -36.35 84.07 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.982 0.42 . . . . 0.0 109.888 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 26.7 t90 -57.89 -50.12 74.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.401 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -66.07 -42.13 89.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -68.73 -46.8 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.691 0.282 . . . . 0.0 111.614 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 67' ' ' TYR . 76.6 m-85 -80.72 -11.85 59.56 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.829 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HG2' ' HB3' ' A' ' 29' ' ' MET . 36.6 mtmt -60.0 -44.84 94.28 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 166.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.16 39.33 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.042 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 61' ' ' TRP . 53.0 tptt -59.75 -50.12 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 ' CE3' ' A' ' 21' ' ' TRP . 77.9 t -61.98 -37.12 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.653 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.1 mtpt -71.34 -14.97 62.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -84.93 -41.51 15.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.029 0.443 . . . . 0.0 110.459 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 4.2 tp60 -76.77 -43.84 35.35 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.331 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CH2' HD21 ' A' ' 39' ' ' LEU . 18.6 m-90 -102.46 -75.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.3 34.24 Favored Glycine 0 CA--C 1.51 -0.262 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.111 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.6 tmtm? -70.58 -24.59 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 110.058 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 46' ' ' ARG . 77.1 mt -80.75 136.63 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.46 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -108.44 -175.52 2.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.03 -40.52 85.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.331 -173.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.783 ' O ' HG13 ' A' ' 31' ' ' ILE . 16.7 t70 -55.75 -50.81 69.4 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.3 175.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 32' ' ' ILE . 12.3 m-20 -60.08 -49.18 78.66 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.468 0.652 . . . . 0.0 109.927 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.693 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 1.4 mmt -61.93 -36.54 81.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.858 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.85 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 6.1 t -72.6 -24.11 61.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.111 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.783 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.3 mt -79.23 -34.14 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 29.5 mt -81.86 -65.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.491 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER 58.25 -52.01 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.25 1.42 . . . . 0.0 112.174 -171.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.82 20.82 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 84.1 mttt -79.6 130.43 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.722 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.04 -59.63 4.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.818 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.76 -35.64 66.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.621 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.736 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.7 mm-40 -68.85 -42.04 77.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.54 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.808 HD21 ' CH2' ' A' ' 21' ' ' TRP . 19.9 tp -69.13 -44.42 72.39 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.098 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.734 HG22 HG21 ' A' ' 58' ' ' VAL . 93.4 t -55.33 -51.26 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.9 -50.22 67.7 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.19 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HG3' HD11 ' A' ' 32' ' ' ILE . 34.5 mmtt -59.26 -41.97 90.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' LEU . 98.2 mt -56.81 -48.87 80.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 110.705 174.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.8 mt-30 -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.267 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 57.8 mt-10 -86.72 -49.1 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.876 -174.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.1 tpt85 -66.37 -47.6 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.678 0.275 . . . . 0.0 111.385 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.9 m-85 -82.39 -45.57 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.0 110.467 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.96 3.2 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.838 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.18 172.58 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.56 160.77 14.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.525 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.33 -32.34 68.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.101 0.476 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.02 -54.96 40.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.435 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.6 -33.99 73.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.555 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.02 -47.19 75.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.273 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.92 -28.0 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -59.52 -49.33 78.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 110.05 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.94 -41.39 97.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.576 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.734 HG21 HG22 ' A' ' 40' ' ' VAL . 78.4 t -60.8 -60.24 2.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.379 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.03 -39.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.187 0.305 . . . . 0.0 111.806 -173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.745 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 12.4 t70 -64.6 -59.44 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.306 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.518 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.7 t90 -58.34 -37.65 75.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.33 0.586 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.69 -46.74 88.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.078 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.0 t -74.74 -18.57 60.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 110.96 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 34.3 mmt180 -70.66 -42.63 70.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.309 0.576 . . . . 0.0 110.38 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -102.93 -61.87 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -171.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 71.7 -17.93 0.32 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.682 0.793 . . . . 0.0 112.716 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.533 ' HE2' ' HB3' ' A' ' 9' ' ' ASN . 49.8 t80 -75.21 69.7 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.751 0.786 . . . . 0.0 108.918 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.689 HH11 ' HG2' ' A' ' 68' ' ' ARG . 26.5 ttp85 -147.36 -19.44 0.38 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.972 -176.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.426 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 9.4 m-90 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.624 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.127 0.489 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -87.2 147.95 25.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.339 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -70.7 151.01 45.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.233 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.56 166.46 21.12 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.25 143.5 14.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 112.114 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 10' ' ' TRP . . . -74.74 5.77 4.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.03 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.9 25.04 6.17 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.555 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.28 -62.56 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' A' ' 6' ' ' ALA . 12.3 p30 -65.73 -37.54 86.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.618 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 23.1 t90 -62.89 -35.03 78.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 110.966 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -81.37 -44.61 17.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 110.448 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.89 -50.54 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.523 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 91.6 m-85 -83.25 -9.25 59.23 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.586 -174.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -58.22 -48.15 81.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 167.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.15 -48.12 16.17 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.428 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.4 mptp? -60.9 -43.46 98.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 61.6 t -70.52 -30.35 42.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.416 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 29' ' ' MET . 52.4 mtpt -71.54 -20.95 61.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.462 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -72.79 -46.74 51.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 0.0 110.28 176.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -42.31 29.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 12.8 m-90 -120.25 87.74 2.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.7 30.77 2.52 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.838 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.2 tttt -117.42 -21.69 8.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.584 -0.363 . . . . 0.0 111.111 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 46' ' ' ARG . 69.8 mt -70.38 137.94 50.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.596 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.3 p -94.66 171.74 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.04 -39.1 77.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.726 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -61.01 -47.46 86.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.597 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.606 ' O ' HG13 ' A' ' 32' ' ' ILE . 73.5 m-20 -58.76 -48.83 79.88 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.098 0.475 . . . . 0.0 110.018 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.479 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 23.3 mmt -57.13 -40.72 77.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.6 m -69.6 -25.71 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.726 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.9 mt -81.56 -24.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.442 . . . . 0.0 110.051 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.64 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.175 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 15.1 tt0 67.48 -59.91 0.39 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.06 0.85 . . . . 0.0 111.648 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA2' ' HD2' ' A' ' 68' ' ' ARG . . . -179.97 21.52 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 62.1 mttp -88.56 132.52 34.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.135 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -48.98 72.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.831 -172.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.46 -33.71 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.126 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 19.7 mm-40 -62.13 -45.48 93.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.276 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.15 -46.41 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.894 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.0 t -54.87 -46.43 75.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.376 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.33 86.61 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.025 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG3' HD11 ' A' ' 32' ' ' ILE . 45.2 mmtt -59.59 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 39' ' ' LEU . 75.5 mt -56.11 -48.26 79.33 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.131 0.491 . . . . 0.0 110.535 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -64.71 -26.96 68.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.348 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -101.4 -41.98 6.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.661 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -67.77 -49.92 59.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 110.747 -176.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 84.3 m-85 -87.28 -45.3 10.74 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.753 0.787 . . . . 0.0 109.922 174.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 105.9 26.2 6.18 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.251 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.0 m-85 -74.15 159.71 32.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.0 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -76.27 163.03 27.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.308 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 23.1 ttpp -66.25 -24.91 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -56.66 -60.37 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.182 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 8.1 tp60 -63.31 -41.7 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.635 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.87 -48.48 79.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.599 -176.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 33.6 mt-10 -71.74 -33.96 69.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.145 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.66 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 110.792 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.3 -32.0 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 41.2 t -63.8 -47.84 89.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.979 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 93.9 t -60.1 -42.24 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.323 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.8 t70 -62.74 -54.36 40.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.131 0.491 . . . . 0.0 110.663 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.58 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.716 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 9.2 tp10 -49.12 -65.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.07 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.402 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 31.7 m -64.53 -23.22 67.2 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.03 -175.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 94.2 mtt-85 -68.88 -39.89 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.5 m-80 -102.2 -57.19 2.11 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.876 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.8 mm-40 78.9 -46.16 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 124.241 0.963 . . . . 0.0 111.068 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 3.5 t80 -54.62 108.87 0.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 28.3 ttp-105 172.94 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 7.8 m95 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.431 -1.258 . . . . 0.0 110.853 176.767 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 69' ' ' TRP . 26.7 ptm . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -98.85 124.09 43.53 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.572 ' HB2' ' OXT' ' A' ' 69' ' ' TRP . 4.2 ttmp? -69.13 127.38 32.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.337 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -86.95 165.83 15.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.586 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.37 138.06 58.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 112.059 -172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.43 117.64 10.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.713 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.16 108.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.68 -56.36 4.14 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -172.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -64.84 -32.5 74.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.335 0.588 . . . . 0.0 110.054 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.745 ' HZ2' ' HA ' ' A' ' 30' ' ' THR . 23.1 t90 -67.2 -46.64 73.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.618 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -67.09 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -67.56 -44.47 78.16 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 109.777 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' O ' HG23 ' A' ' 17' ' ' VAL . 7.1 t80 -74.48 -39.4 62.49 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.255 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.765 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 50.5 mtmt -54.37 -42.78 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.748 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.55 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -61.52 -37.96 95.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.495 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HZ2' ' A' ' 61' ' ' TRP . 50.5 tptt -66.18 -42.14 89.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.764 HG22 ' CH2' ' A' ' 61' ' ' TRP . 12.8 t -66.79 -34.82 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.922 0.392 . . . . 0.0 110.3 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -71.58 -21.4 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.4 mt-10 -71.54 -35.92 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.751 172.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.33 -60.19 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.921 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 3.6 m95 -122.46 98.18 5.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.829 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.47 5.44 28.92 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.066 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.4 tmtp? -90.81 -19.39 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 110.614 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD23 ' HG2' ' A' ' 46' ' ' ARG . 18.5 mt -75.46 149.45 38.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.456 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 34.1 p -108.6 -176.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.31 -44.08 59.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.761 ' O ' HG12 ' A' ' 31' ' ' ILE . 4.8 t70 -54.37 -40.55 68.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.394 0.616 . . . . 0.0 110.227 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 3.1 t70 -58.62 -54.38 47.75 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.176 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.765 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 12.8 ttm -84.36 -15.43 46.45 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.433 -168.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.745 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 53.1 m -70.74 -36.06 72.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 109.76 169.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.761 HG12 ' O ' ' A' ' 27' ' ' ASP . 33.7 mm -71.82 -30.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.777 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.679 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 36.9 mt -76.69 -64.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.247 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 66.75 -58.31 0.39 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.634 0.773 . . . . 0.0 111.535 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -174.13 30.03 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.749 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 55.9 mmtt -96.55 128.65 43.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -63.73 -45.63 89.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.23 -37.98 82.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.577 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.779 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 29.5 mm-40 -65.52 -46.77 78.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.102 -176.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 43' ' ' ILE . 33.8 tp -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.339 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 89.2 t -52.02 -50.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.22 -48.07 85.34 Favored Glycine 0 CA--C 1.52 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.952 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 44.9 mmtt -58.75 -45.65 89.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.883 0.342 . . . . 0.0 111.572 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.521 HG22 ' HD2' ' A' ' 49' ' ' TYR . 77.4 mt -55.77 -42.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.5 mt-30 -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -84.19 -41.61 16.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 111.626 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 28' ' ' ASP . 2.8 mpt_? -80.55 -45.15 17.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.52 -169.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.5 m-85 -94.71 -34.38 12.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.34 0.59 . . . . 0.0 110.35 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 91.37 42.38 4.9 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.305 -175.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 43' ' ' ILE . 18.6 m-85 -82.99 161.93 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.143 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -73.98 147.18 43.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.383 171.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.0 ttpp -56.66 -32.53 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 110.04 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.21 -53.0 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.669 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -72.61 -34.58 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.595 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.81 -46.98 88.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 43.4 mt-10 -61.58 -39.27 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.06 -54.3 46.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.75 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -65.86 -33.06 74.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.774 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 54' ' ' ALA . 52.5 t -64.53 -57.06 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.792 176.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.26 -41.26 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.624 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 17.2 t70 -58.93 -64.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.276 0.56 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.764 ' CH2' HG22 ' A' ' 17' ' ' VAL . 86.7 t90 -65.98 -33.23 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.57 -55.45 29.23 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.643 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 m -62.23 -26.41 68.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.322 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 21.1 mmt180 -61.69 -42.68 99.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.848 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.1 m-80 -104.22 -45.09 4.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.046 -170.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 87.49 -2.52 0.57 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.669 0.788 . . . . 0.0 113.001 166.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.34 90.57 7.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.546 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 7.5 tmm_? -157.77 -39.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.572 ' OXT' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.916 -176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 ttm . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -72.65 165.43 24.75 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 114.14 4.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 169.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 5.7 t70 -93.27 166.05 12.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.634 -170.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.37 159.19 20.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.293 0.568 . . . . 0.0 111.457 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.97 110.1 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.657 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.26 94.7 0.16 Allowed Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.803 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.18 3.81 88.64 Favored Glycine 0 C--N 1.33 0.232 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' GLN . 29.4 p-10 -102.11 2.64 37.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.999 -0.6 . . . . 0.0 110.641 -175.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.607 ' HA ' ' CE3' ' A' ' 10' ' ' TRP . 4.4 t-105 -59.78 -50.25 74.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.024 -171.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.31 -24.7 67.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.274 0.559 . . . . 0.0 110.26 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 59.5 tt0 -74.33 -50.33 19.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.162 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -84.79 -29.12 25.68 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.939 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 34.4 ttpt -57.29 -35.11 69.39 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.18 -49.66 38.58 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.548 173.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.16 -42.45 96.74 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.647 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 99.3 t -59.74 -38.31 75.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 174.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 58.5 mtpt -73.97 -13.52 60.89 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.642 0.258 . . . . 0.0 111.353 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 52.2 mt-10 -83.5 -37.5 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.521 ' CE3' HG13 ' A' ' 17' ' ' VAL . 20.9 m-90 -94.69 -76.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.223 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.83 -19.66 36.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.736 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.581 ' HD2' ' HG3' ' A' ' 46' ' ' ARG . 4.1 tmtp? -70.82 -20.78 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.405 0.621 . . . . 0.0 109.82 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 42' ' ' LYS . 86.4 mt -81.09 146.81 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.046 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 p -105.21 -173.12 2.23 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.31 -44.53 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.669 ' O ' HG13 ' A' ' 31' ' ' ILE . 21.7 t70 -66.11 -41.6 90.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.509 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 32' ' ' ILE . 19.9 m-20 -59.69 -52.43 65.52 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.476 0.655 . . . . 0.0 109.619 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.939 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 7.7 ttm -67.33 -32.43 73.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.049 -175.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 10' ' ' TRP . 86.1 m -62.92 -31.02 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.609 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.7 mt -74.38 -27.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -82.33 -77.31 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.644 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 38.5 tt0 66.08 -59.73 0.31 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.996 0.918 . . . . 0.0 112.032 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.538 ' HA2' ' HG2' ' A' ' 68' ' ' ARG . . . -147.45 -7.68 0.25 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.332 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 33.1 mmtp -70.77 113.35 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.0 111.296 -175.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 3.1 tmt_? -51.91 -49.02 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.869 173.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -54.08 -48.74 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.238 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.751 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.3 mm-40 -62.59 -40.15 95.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.402 HD22 HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.66 -36.58 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.107 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -59.18 -47.73 89.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -47.24 91.49 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.182 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB3' HD21 ' A' ' 24' ' ' LEU . 55.6 mmtt -62.84 -45.76 91.1 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 96.3 mt -56.08 -48.2 79.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.792 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 54.0 mt-30 -57.52 -45.94 84.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.48 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.92 -27.51 17.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -169.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -76.38 -42.91 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.747 -178.132 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 71.4 m-85 -88.17 -46.41 9.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.522 0.677 . . . . 0.0 111.148 176.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.8 55.27 0.66 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.682 -170.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -112.68 169.74 8.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.181 0.515 . . . . 0.0 111.319 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -82.9 162.09 21.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.837 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 22.9 ttpp -59.98 -34.35 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.202 0.525 . . . . 0.0 110.057 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.09 -53.85 53.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.41 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.34 -41.42 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.901 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.61 -47.75 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.058 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 48.8 mt-10 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.011 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.92 -38.82 89.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.628 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -36.98 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -61.37 -48.22 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.461 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.4 t -60.57 -42.78 92.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.359 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.8 t70 -66.27 -49.98 65.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.764 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' HZ3' ' HD2' ' A' ' 68' ' ' ARG . 91.1 t90 -64.59 -34.64 78.72 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.499 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -55.07 -49.32 71.94 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.7 t -73.39 -19.6 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.451 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 74.8 mtt180 -71.44 -44.53 64.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.388 . . . . 0.0 111.217 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -104.56 -56.26 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 78.91 -44.11 0.35 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.524 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 4' ' ' ASP . 21.1 t80 -64.93 106.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 64.1 ttt180 -168.78 -75.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.74 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.424 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 13.4 t90 . . . . . 0 C--O 1.251 1.164 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.725 ' HB3' ' HB2' ' A' ' 69' ' ' TRP . 22.0 ttt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -77.2 135.13 38.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.73 ' HA ' ' OXT' ' A' ' 69' ' ' TRP . 12.6 tptp -59.5 119.05 6.79 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.494 0.664 . . . . 0.0 111.978 -172.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -84.28 166.05 17.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.084 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -96.69 131.24 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.517 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -68.77 100.89 1.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.09 0.471 . . . . 0.0 111.641 -175.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 112.44 0.52 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.73 -54.8 4.38 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.316 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -67.13 -16.37 64.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.371 . . . . 0.0 110.13 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.741 ' HZ3' ' HG3' ' A' ' 33' ' ' GLU . 13.7 t-105 -56.87 -49.01 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.85 173.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.44 -39.03 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.198 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -79.45 -50.86 10.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.245 0.545 . . . . 0.0 110.647 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 14.0 t80 -73.26 -35.93 66.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.566 -169.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HG3' ' HB3' ' A' ' 29' ' ' MET . 38.8 ttpt -50.94 -38.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.45 0.643 . . . . 0.0 109.772 173.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -65.4 -40.7 96.53 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.688 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -65.68 -36.74 84.51 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.91 0.355 . . . . 0.0 111.512 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG22 ' CH2' ' A' ' 61' ' ' TRP . 4.1 t -68.74 -37.58 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.411 0.624 . . . . 0.0 109.463 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.21 -22.78 60.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.18 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 49.1 mt-10 -71.18 -36.31 71.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.8 -62.56 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.386 0.612 . . . . 0.0 109.591 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -106.16 89.5 3.08 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.602 -178.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.17 54.75 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.744 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mttp -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.249 0.524 . . . . 0.0 111.339 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 42' ' ' LYS . 34.1 mt -71.51 122.19 20.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.458 -175.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 29' ' ' MET . 61.3 p -97.11 176.9 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.064 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.96 -35.65 75.41 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.675 ' O ' HG13 ' A' ' 31' ' ' ILE . 12.0 t70 -59.7 -46.96 87.51 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.751 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 16.5 m-20 -59.88 -49.54 77.31 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.31 0.576 . . . . 0.0 109.716 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.667 ' HB3' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -56.46 -39.61 73.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.818 -177.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.611 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 56.9 m -68.86 -36.24 77.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.615 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.9 mt -72.26 -36.26 55.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.248 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 28' ' ' ASP . 51.3 mt -68.74 -59.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' HG3' ' HZ3' ' A' ' 10' ' ' TRP . 34.6 tt0 67.59 -58.51 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 124.242 0.964 . . . . 0.0 111.835 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.78 31.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.034 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 34.3 mmtp -103.27 129.4 50.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.654 0.264 . . . . 0.0 110.901 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -65.97 -46.17 79.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.877 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.67 -40.16 96.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.98 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 1.034 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.04 -40.59 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.581 -177.771 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.1 tp -66.26 -42.91 87.84 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.972 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 77.5 t -52.92 -47.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.17 -54.96 32.98 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.057 175.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 48.2 mmtt -59.3 -38.1 79.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 39' ' ' LEU . 79.7 mt -59.88 -47.41 91.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.521 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 21.1 mt-30 -75.91 -20.56 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.637 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 46.6 mt-10 -95.23 -39.42 10.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.438 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -74.85 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.652 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.8 m-85 -94.22 -45.14 7.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.431 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.63 48.86 1.74 Allowed Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.856 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 42.5 m-85 -86.85 165.63 15.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -79.12 155.2 28.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.543 174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.81 -29.15 69.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.034 0.445 . . . . 0.0 110.399 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.63 -53.39 58.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -73.92 -33.78 64.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.528 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.83 -47.4 84.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -54.76 -55.39 30.58 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.86 -40.38 88.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.88 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.574 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 33.9 mm-40 -66.7 -42.33 86.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.109 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 54' ' ' ALA . 78.8 t -63.95 -57.8 10.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.02 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.41 -43.69 78.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 30.5 t70 -63.55 -57.41 10.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.929 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.62 ' CH2' HG22 ' A' ' 17' ' ' VAL . 91.3 t90 -63.33 -39.83 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.89 -61.04 2.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.059 177.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.54 -16.09 62.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.682 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 86.6 mtt-85 -72.66 -30.64 64.45 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.158 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.4 m-80 -102.52 -58.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.297 -174.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.0 mm-40 80.36 -31.46 0.12 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.301 0.64 . . . . 0.0 112.501 171.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -78.24 69.24 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.479 0.657 . . . . 0.0 110.269 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 47.3 ttp85 -148.95 -20.95 0.3 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.73 ' OXT' ' HA ' ' A' ' 3' ' ' LYS . 53.4 m95 . . . . . 0 C--O 1.244 0.768 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.658 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -77.37 123.34 26.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 170.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -72.73 131.87 42.91 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 111.342 -170.448 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.28 134.56 56.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.775 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -52.33 131.12 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.663 0.602 . . . . 0.0 111.838 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.621 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -76.03 63.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.841 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.54 -77.44 0.87 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' HA2' ' HD3' ' A' ' 11' ' ' LYS . . . -72.64 -26.84 70.57 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 172.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . 55.0 t-20 -64.7 -38.2 90.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.621 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 34.2 t-105 -65.91 -42.53 90.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.211 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD3' ' HA2' ' A' ' 8' ' ' GLY . 45.6 mtpt -71.26 -46.1 61.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.073 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.42 -50.61 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.528 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 68.4 m-85 -81.5 -22.88 37.71 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.827 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 22.2 ttmm -55.88 -43.0 76.78 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 171.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.17 -44.94 21.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.612 176.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 3.8 mptp? -61.09 -46.16 91.75 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.9 0.35 . . . . 0.0 111.897 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 84.4 t -62.59 -42.91 97.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.494 177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 16.8 mtpt -68.82 -12.69 61.8 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 46.0 mt-10 -76.58 -44.38 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 110.203 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.31 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.816 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -119.99 98.59 6.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.744 -178.389 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.2 12.66 63.78 Favored Glycine 0 C--N 1.317 -0.511 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 tttt -87.09 -37.39 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.824 0.812 . . . . 0.0 110.247 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 47.6 mt -59.69 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.02 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -98.57 -177.1 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.81 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.8 -44.22 90.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.521 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.611 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -54.99 -47.84 74.08 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.664 ' O ' HG13 ' A' ' 32' ' ' ILE . 21.5 m-20 -60.06 -53.61 55.72 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.827 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 mtm -73.11 -16.39 61.46 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.8 -175.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.501 HG23 ' HH2' ' A' ' 10' ' ' TRP . 62.5 m -66.54 -37.36 84.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.7 mt -78.03 -30.54 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.921 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.682 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 41.2 mt -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.147 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 66.03 -58.25 0.34 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.721 0.638 . . . . 0.0 111.156 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.39 29.81 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 21.8 mmtp -92.26 126.76 37.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.0 tmt_? -62.71 -43.19 99.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.27 -39.25 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.414 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.633 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 50.1 mm-40 -65.65 -49.95 66.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.054 -175.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.7 tp -65.56 -38.97 91.1 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.672 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 68.5 t -55.45 -50.82 63.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.819 0.342 . . . . 0.0 110.154 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -65.13 -45.11 92.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.396 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 32' ' ' ILE . 42.5 mmtt -60.13 -45.42 93.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.8 mt -59.3 -41.88 85.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.954 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.6 mt-30 -61.74 -43.58 98.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.12 0.485 . . . . 0.0 111.044 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 44.8 mt-10 -80.3 -53.16 6.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.561 -172.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.54 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.8 tpt180 -66.67 -44.5 81.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 110.817 -173.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.816 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 25.4 m-85 -95.59 -16.48 22.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.338 -171.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.72 40.83 10.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.007 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.2 m-85 -98.55 165.81 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.99 0.424 . . . . 0.0 110.526 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.87 161.73 13.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 19.2 ttpp -52.95 -38.31 61.89 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.422 0.451 . . . . 0.0 110.755 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.5 -60.83 2.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.663 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 38.2 tt0 -71.41 -32.94 68.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.741 -174.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -64.43 -47.19 80.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.313 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.3 mt-10 -65.34 -32.12 73.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 86.5 mttt -59.49 -47.65 84.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -65.41 -34.62 78.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 54' ' ' ALA . 85.8 t -66.38 -46.82 85.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLU . 70.6 t -62.54 -40.93 90.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.694 0.283 . . . . 0.0 111.601 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 13.9 t70 -66.38 -52.07 50.54 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.4 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 86.1 t90 -60.45 -38.97 85.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.94 -58.44 5.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.133 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -64.59 -23.16 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 29.4 mmt180 -63.41 -42.81 98.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.29 0.567 . . . . 0.0 110.141 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.63 -71.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.86 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 73.31 -3.42 2.46 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.113 0.965 . . . . 0.0 111.828 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' HD2' ' CE2' ' A' ' 13' ' ' PHE . 65.7 t80 -87.32 80.77 8.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -154.68 -39.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -170.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.626 -173.497 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.653 0.263 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -91.95 124.88 36.39 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 167.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' HA ' ' OXT' ' A' ' 69' ' ' TRP . 1.3 mtpm? -60.14 116.06 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' HE1' ' A' ' 67' ' ' TYR . 3.2 t70 -62.8 143.19 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.337 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.5 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 10' ' ' TRP . . . -88.21 75.89 8.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.135 0.493 . . . . 0.0 110.677 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.79 97.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.95 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.94 -53.46 4.24 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -65.7 -16.99 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.29 0.567 . . . . 0.0 110.033 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.688 ' CH2' ' HA ' ' A' ' 30' ' ' THR . 21.5 t-105 -57.58 -48.48 79.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.994 173.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 11' ' ' LYS . 36.0 ttpt -67.87 -32.38 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.273 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.41 -51.15 55.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.629 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 77.7 m-85 -85.35 -24.42 27.61 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.996 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 29' ' ' MET . 34.7 ttpt -59.62 -38.76 82.17 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 170.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -72.02 -51.67 13.72 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.129 174.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 13.6 mptt -54.01 -52.46 60.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.644 ' HB ' ' HE3' ' A' ' 29' ' ' MET . 59.7 t -56.43 -43.68 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.033 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' TRP . 40.8 mtpt -72.83 -16.06 61.61 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.8 mt-10 -74.74 -29.84 61.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -57.08 3.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.751 ' HZ2' ' HG3' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -121.47 96.0 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.252 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.11 -6.05 72.91 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 113.993 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 13.5 mmtt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.032 0.416 . . . . 0.0 111.741 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 46' ' ' ARG . 66.2 mt -62.38 150.89 38.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.918 -178.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 p -121.06 -175.32 3.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.355 -172.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.37 -33.46 73.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.029 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.17 -37.97 75.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.734 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 28.2 m-20 -67.89 -51.3 49.63 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 122.031 0.92 . . . . 0.0 109.163 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.644 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 58.2 tpp -60.66 -42.15 96.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.659 -1.61 . . . . 0.0 112.174 -171.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.688 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 12.7 t -62.85 -24.15 67.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.233 0.54 . . . . 0.0 110.855 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.54 -30.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.213 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 19.6 mt -85.68 -71.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.437 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.9 pp20? 50.26 -57.89 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.311 1.445 . . . . 0.0 113.443 -166.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 62.73 0.32 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.267 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.9 mptt -132.17 124.96 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.369 -0.489 . . . . 0.0 110.255 173.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 tmt_? -60.37 -39.67 88.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.63 -45.16 88.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.85 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 32.9 mm-40 -65.95 -41.98 90.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.006 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' O ' HG13 ' A' ' 43' ' ' ILE . 26.8 tp -66.76 -39.92 88.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.469 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 63.1 t -54.95 -50.61 60.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.178 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -48.61 85.37 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.118 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 24.6 mmtt -59.77 -42.45 93.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.7 mt -58.63 -40.47 79.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.798 177.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 18.1 mt-30 -66.81 -31.33 71.89 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -89.75 -36.74 15.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.498 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -78.46 -57.27 3.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.864 -174.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.69 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.4 m-85 -84.34 -46.14 12.06 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 110.882 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 112.25 25.87 4.54 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.497 -177.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.12 171.49 14.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.322 0.582 . . . . 0.0 111.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -88.55 165.28 14.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.635 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -57.59 -42.71 83.74 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.367 0.417 . . . . 0.0 111.086 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.92 -52.96 63.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.0 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -64.31 -38.64 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.669 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.97 -47.07 81.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.843 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.6 -37.95 74.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.16 0.288 . . . . 0.0 111.087 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 9.7 mtpm? -58.1 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.371 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.751 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 23.7 mm-40 -73.31 -27.6 61.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.312 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG22 ' HG ' ' A' ' 39' ' ' LEU . 73.0 t -68.49 -59.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.566 177.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.23 -33.65 51.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.3 t0 -62.29 -62.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.277 177.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.3 t90 -58.46 -41.48 85.28 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.591 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.43 -50.84 64.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.496 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -68.14 -28.07 66.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.985 0.421 . . . . 0.0 111.376 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mtt180 -67.42 -42.45 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 111.231 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 36.1 m-80 -102.72 -35.41 8.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.921 -172.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 10.2 mm-40 80.56 -1.37 1.9 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.564 0.746 . . . . 0.0 112.331 171.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HE1' ' HB3' ' A' ' 4' ' ' ASP . 91.4 t80 -80.98 105.69 12.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -139.11 -81.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.627 ' OXT' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.506 -174.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.828 0.347 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -97.04 163.66 12.85 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.81 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 4.8 mtmp? -80.97 137.68 36.09 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.498 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.08 168.14 20.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.193 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.92 142.36 11.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.64 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 0.0 111.707 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.33 136.79 4.45 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.94 -65.19 2.25 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.363 -0.922 . . . . 0.0 110.932 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.65 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.973 0.416 . . . . 0.0 109.917 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.971 ' HH2' ' HA ' ' A' ' 30' ' ' THR . 76.9 t-105 -57.29 -47.34 81.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.309 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -70.28 -37.26 74.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.63 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.04 -50.47 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HZ ' ' HB3' ' A' ' 67' ' ' TYR . 60.8 m-85 -82.6 -22.59 34.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.998 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.16 -45.92 89.73 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.658 -0.817 . . . . 0.0 108.844 169.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.23 -33.85 52.87 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 40.3 tptt -68.51 -49.55 58.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 83.0 t -60.68 -34.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.133 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 93.8 mttt -75.74 -13.16 60.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.8 0.334 . . . . 0.0 111.497 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.54 -47.09 9.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.43 0.633 . . . . 0.0 109.864 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 21' ' ' TRP . 4.0 tp60 -76.31 -37.61 57.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 9.9 m-90 -113.75 -74.62 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 80.34 -14.99 19.85 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.84 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.996 ' HG2' ' HB3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -72.85 -14.09 61.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.299 0.571 . . . . 0.0 109.639 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 42' ' ' LYS . 20.4 mt -89.17 151.81 21.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.921 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 29' ' ' MET . 41.6 p -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.925 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -37.01 77.52 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -169.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.3 t70 -60.51 -41.57 94.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.252 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' ILE . 66.7 m-20 -61.94 -49.6 75.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.351 0.596 . . . . 0.0 109.549 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 25' ' ' THR . 29.8 mmm -55.41 -35.97 65.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.393 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.971 ' HA ' ' HH2' ' A' ' 10' ' ' TRP . 24.4 m -68.87 -29.27 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.168 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -85.93 -22.0 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 28' ' ' ASP . 57.5 mt -86.43 -62.33 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.451 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.58 -57.95 0.31 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.87 0.731 . . . . 0.0 111.206 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.81 ' HA3' ' HE2' ' A' ' 3' ' ' LYS . . . 179.22 18.89 0.03 OUTLIER Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.2 125.82 30.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.813 0.339 . . . . 0.0 110.124 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -59.64 -48.97 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.216 -176.336 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.67 -31.85 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -63.58 -46.46 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.661 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -65.27 -39.36 92.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 72.4 t -54.17 -52.71 35.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 110.374 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.81 -44.44 95.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.229 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.848 ' HB3' HD21 ' A' ' 24' ' ' LEU . 52.1 mmtt -65.29 -38.58 90.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 90.8 mt -62.75 -38.16 80.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.3 mt-30 -68.75 -20.2 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 31.5 mt-10 -90.89 -49.75 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.285 0.564 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.996 ' HB3' ' HG2' ' A' ' 23' ' ' LYS . 15.7 mmt180 -71.78 -55.87 6.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.175 -172.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 95.9 m-85 -89.71 -45.46 9.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.364 0.602 . . . . 0.0 109.637 176.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.17 41.17 2.66 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.535 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.527 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 76.2 m-85 -85.63 161.13 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -72.84 153.99 40.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -51.9 -42.93 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.316 0.385 . . . . 0.0 111.683 -175.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.96 -48.37 75.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.398 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 53.7 tt0 -76.03 -32.65 59.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.18 -45.96 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.204 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HG2' HG21 ' A' ' 40' ' ' VAL . 49.9 mt-10 -59.93 -35.81 75.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.81 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 59.8 tttp -59.58 -43.61 93.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.924 0.392 . . . . 0.0 110.325 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 21' ' ' TRP . 1.4 mm-40 -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.779 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG11 ' HG2' ' A' ' 36' ' ' ARG . 86.9 t -62.38 -47.84 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.0 t -64.66 -35.74 75.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.073 0.463 . . . . 0.0 110.731 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.75 -53.95 49.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.807 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -61.47 -40.58 95.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.791 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 59' ' ' VAL . 9.1 tt0 -55.05 -52.11 64.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 m -65.05 -29.67 70.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.27 -39.81 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.836 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.8 m-80 -98.76 -56.49 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.256 -174.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 42.3 mm-40 92.8 -25.53 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.508 1.13 . . . . 0.0 112.309 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HB3' ' HZ ' ' A' ' 13' ' ' PHE . 67.0 t80 -79.87 91.85 5.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -152.78 151.36 30.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.503 ' H ' ' HE3' ' A' ' 3' ' ' LYS . 41.9 t90 . . . . . 0 C--O 1.247 0.968 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -82.46 166.14 19.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 69' ' ' TRP . 63.7 tttm -63.59 117.98 7.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.169 -177.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.29 143.94 56.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.975 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.62 158.32 17.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.82 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -48.33 96.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.893 0.746 . . . . 0.0 112.646 -175.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.1 116.63 0.39 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -60.75 2.68 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 -171.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -66.17 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.525 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 14.9 t-105 -57.04 -50.09 73.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.318 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 34.7 ttpt -81.4 -45.29 16.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.83 -50.3 67.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.052 -172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HE2' ' HB3' ' A' ' 65' ' ' ASN . 46.8 m-85 -87.32 -18.01 31.11 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 170.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.53 -47.73 11.86 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.168 175.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -60.85 -43.75 97.92 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.23 -46.59 81.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.354 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 59.7 mttm -64.87 -24.79 67.64 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -68.0 -29.89 69.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.04 0.448 . . . . 0.0 110.334 176.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -63.25 1.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.647 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -121.08 96.1 4.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.997 179.237 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . -76.43 -10.54 85.6 Favored Glycine 0 C--N 1.319 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.693 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.37 -24.26 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.973 0.387 . . . . 0.0 110.982 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' OD2' ' A' ' 28' ' ' ASP . 14.5 mt -67.89 156.84 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.36 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 57.5 p -127.33 -167.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 111.744 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.83 -42.12 41.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.429 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.5 p-10 -68.14 -15.15 63.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.321 0.581 . . . . 0.0 110.229 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.823 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 11.1 t70 -75.08 -53.57 8.64 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 122.463 1.125 . . . . 0.0 109.078 173.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpp -75.2 -26.26 58.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 113.12 -1.855 . . . . 0.0 112.436 -168.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -69.19 -26.05 64.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.377 0.608 . . . . 0.0 110.033 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 27' ' ' ASP . 22.6 mm -83.67 -35.18 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.755 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 38.8 mt -90.06 -81.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.346 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER 54.2 -47.95 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.599 1.56 . . . . 0.0 113.896 -173.214 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.77 33.4 0.97 Allowed Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 67.5 mmtt -108.17 114.52 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.43 . . . . 0.0 110.456 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -65.42 -51.8 57.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.407 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.89 -35.8 77.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.043 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 13.2 mm-40 -64.45 -33.06 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.56 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HA ' HD13 ' A' ' 32' ' ' ILE . 46.1 tp -68.58 -40.44 80.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.809 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 87.6 t -54.16 -50.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.05 -49.63 73.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.79 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.823 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 40.7 mmtt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.956 0.378 . . . . 0.0 111.943 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.78 -45.15 91.45 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.982 0.42 . . . . 0.0 110.661 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 25.3 mt-30 -63.06 -23.71 67.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -91.55 -47.04 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.388 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.576 HH21 ' HB2' ' A' ' 28' ' ' ASP . 1.1 mpt_? -73.75 -46.31 46.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.95 -174.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.8 m-85 -94.07 -35.71 12.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.493 0.663 . . . . 0.0 110.413 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 89.16 59.19 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.239 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.43 ' H ' ' HA ' ' A' ' 44' ' ' GLN . 15.4 m-85 -104.45 169.31 8.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 0.0 111.104 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -84.94 156.52 21.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 13.3 ttpt -60.85 -27.53 68.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 110.074 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.0 -60.25 3.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.793 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.575 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 43.6 tt0 -68.83 -40.31 79.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.141 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.88 -47.32 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.841 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' OE1' ' HE3' ' A' ' 51' ' ' LYS . 33.4 mt-10 -65.07 -42.05 94.53 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.66 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 24.9 mm-40 -65.69 -40.92 92.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 54' ' ' ALA . 72.8 t -63.23 -51.02 76.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.8 t -59.04 -39.22 77.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.622 0.249 . . . . 0.0 111.427 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 23.0 t70 -60.55 -57.7 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.97 -40.67 94.27 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.76 -50.06 74.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 m -67.87 -24.34 65.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.1 mtt-85 -69.57 -42.01 75.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.078 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 50.0 m-80 -102.24 -58.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.666 -173.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 75.13 -27.08 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.841 0.856 . . . . 0.0 112.53 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.93 94.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.234 0.54 . . . . 0.0 109.726 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 7.8 tmm_? -164.76 -55.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.9 -174.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.483 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 40.6 t-105 . . . . . 0 C--O 1.243 0.719 0 O-C-N 124.314 1.008 . . . . 0.0 111.274 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.774 0.321 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -79.67 138.57 37.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.639 ' HE3' ' HA3' ' A' ' 34' ' ' GLY . 59.4 tttm -60.51 134.21 56.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.66 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -84.4 166.46 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.176 0.513 . . . . 0.0 110.788 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -78.55 123.97 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.369 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 101.7 5.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.918 0.39 . . . . 0.0 110.289 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.26 138.83 6.93 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.72 -37.42 2.29 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.806 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -94.46 3.47 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.967 0.507 . . . . 0.0 109.905 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.76 -52.82 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.623 -174.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.94 -24.95 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.453 0.644 . . . . 0.0 110.157 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.72 -43.39 96.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.409 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 23.5 m-85 -85.33 -29.58 24.38 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 1.079 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 53.3 mtpt -59.23 -41.37 88.5 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.73 -35.94 74.44 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.965 173.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 8.1 tptp -66.29 -47.29 74.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.796 0.298 . . . . 0.0 111.639 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 16.7 t -67.44 -27.82 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.235 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 60.6 mtpt -73.92 -25.83 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.341 176.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.3 mt-10 -66.95 -45.44 77.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 21.8 tp60 -57.71 -62.52 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.166 176.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.803 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -115.27 -69.91 0.83 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.24 -12.5 64.37 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.079 174.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.3 tmtp? -73.24 -13.69 61.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD23 ' HG2' ' A' ' 46' ' ' ARG . 71.7 mt -76.86 -178.22 4.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.579 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 28' ' ' ASP . 25.3 p -136.44 173.17 11.99 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.294 -170.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.931 -177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -73.09 -41.57 63.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.755 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' ' 32' ' ' ILE . 2.7 p30 -61.72 -43.34 99.04 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.112 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 1.079 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 28.0 ttm -79.28 -18.15 53.26 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.737 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.8 m -60.14 -32.27 70.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 109.355 167.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.5 mt -89.71 -31.03 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.334 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 28' ' ' ASP . 64.3 mt -73.81 -15.67 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -27.9 -59.06 0.11 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.432 1.082 . . . . 0.0 112.953 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.639 ' HA3' ' HE3' ' A' ' 3' ' ' LYS . . . -127.04 21.03 5.88 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.324 178.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.7 mmtp -115.38 99.58 7.49 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 111.382 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -37.96 80.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.399 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -43.34 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.048 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.7 mm-40 -65.68 -47.87 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.987 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.753 ' HG ' HG22 ' A' ' 58' ' ' VAL . 22.3 tp -60.84 -38.89 87.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.683 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.9 t -56.42 -53.03 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.438 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.13 -41.49 99.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.228 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' HD11 ' A' ' 32' ' ' ILE . 52.7 mmtt -65.12 -41.3 94.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' A' ' 49' ' ' TYR . 82.1 mt -63.57 -39.17 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 49.7 mt-30 -64.82 -24.89 67.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.191 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 49.6 mt-10 -93.17 -45.28 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.61 -44.44 57.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -173.212 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 91.3 m-85 -93.88 -39.49 10.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.438 0.637 . . . . 0.0 110.106 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.9 52.96 1.7 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.823 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.645 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.4 m-85 -98.07 175.39 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.272 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -92.25 167.06 12.28 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 62.2 tttp -57.69 -40.31 79.19 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.344 0.403 . . . . 0.0 110.546 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.61 -52.25 66.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.9 -45.96 86.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.689 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.77 -46.93 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 50.5 mt-10 -60.03 -40.77 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.992 -178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.93 -45.65 91.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.02 -39.98 83.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.792 0.33 . . . . 0.0 110.998 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.753 HG22 ' HG ' ' A' ' 39' ' ' LEU . 98.9 t -62.69 -49.62 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.364 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.74 -32.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.774 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.695 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 11.3 t70 -64.92 -54.5 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.471 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 85.6 t90 -54.76 -39.98 68.9 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.336 0.589 . . . . 0.0 110.112 175.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HB2' HH21 ' A' ' 68' ' ' ARG . 12.0 tt0 -57.93 -40.47 80.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.466 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 60' ' ' ASP . 5.0 t -80.35 -20.03 45.08 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.982 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 25.4 mmt180 -74.99 -44.27 49.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.512 . . . . 0.0 111.011 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.2 m-80 -104.77 -40.65 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.311 -172.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 41.5 mt-10 85.23 -44.32 0.06 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.894 0.878 . . . . 0.0 112.196 170.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.661 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t80 -73.78 102.95 4.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.245 0.545 . . . . 0.0 111.246 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 46.5 ttm-85 -132.33 16.13 4.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 169.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.601 ' HA ' ' HG3' ' A' ' 3' ' ' LYS . 30.2 m-90 . . . . . 0 C--O 1.241 0.652 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.538 -176.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -73.32 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.063 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 68' ' ' ARG . 52.6 tttm -71.25 150.81 44.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.311 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.53 163.05 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -92.6 141.05 28.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.988 0.423 . . . . 0.0 111.102 -172.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 10' ' ' TRP . . . -92.73 118.77 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.597 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.92 -94.37 0.22 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.849 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.82 -31.93 34.44 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -65.79 -20.05 66.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.354 0.597 . . . . 0.0 110.092 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.416 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 12.8 t-105 -67.17 -40.46 86.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.974 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.99 -30.89 70.55 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.807 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.6 tp-100 -62.36 -50.85 69.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.299 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 21.1 m-85 -79.19 -21.66 46.05 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.637 ' O ' ' HE1' ' A' ' 29' ' ' MET . 22.7 ttmm -57.77 -45.43 85.96 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 168.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -66.06 -45.4 87.62 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.265 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 29.3 mmmt -58.27 -52.39 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 84.9 t -56.92 -35.43 47.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.7 mtpt -75.9 -28.68 58.17 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.689 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.9 mt-10 -70.74 -38.69 73.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -55.63 -61.16 2.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.449 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.779 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.19 10.54 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 119.975 -1.107 . . . . 0.0 114.748 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 8.7 mttt -69.86 -34.76 74.02 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 117.634 0.717 . . . . 0.0 110.849 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 49.8 mt -59.7 141.62 54.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.905 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.602 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 28.0 p -117.15 -175.1 2.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.164 -169.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -56.04 -36.73 68.34 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.844 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.7 t70 -59.05 -42.23 89.79 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.602 ' HB3' ' O ' ' A' ' 25' ' ' THR . 2.6 t70 -58.02 -62.23 1.97 Allowed 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.577 1.179 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.637 ' HE1' ' O ' ' A' ' 14' ' ' LYS . 4.0 mtp -61.54 -34.74 76.06 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 112.512 -2.131 . . . . 0.0 110.344 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.3 m -67.06 -32.36 73.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.539 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.844 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.9 mt -86.17 -35.11 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.757 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -77.83 -66.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.636 -174.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 6.1 tm-20 64.83 -59.24 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.287 0.635 . . . . 0.0 112.534 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.03 43.17 0.11 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 121.104 -0.569 . . . . 0.0 111.779 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -122.68 128.8 51.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.728 HH21 ' HG2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -58.25 -51.23 70.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.43 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.562 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 11.8 t70 -63.16 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 -172.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 38' ' ' GLN . 11.7 mm-40 -68.83 -45.41 71.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.492 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.68 -34.58 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.221 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG21 ' HE ' ' A' ' 36' ' ' ARG . 76.3 t -57.06 -46.92 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.25 -53.86 39.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.489 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 29.8 mmtt -67.08 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -175.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.589 HG22 ' HD2' ' A' ' 49' ' ' TYR . 67.4 mt -56.0 -38.47 53.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.044 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.4 mt-30 -63.96 -44.04 93.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.029 0.443 . . . . 0.0 110.26 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.68 -53.85 40.89 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.806 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.3 tpt180 -76.49 -43.57 39.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.782 -168.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.886 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 12.3 m-85 -95.75 -23.69 16.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.71 -170.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.53 25.4 25.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.541 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' HD2' HG22 ' A' ' 43' ' ' ILE . 26.8 m-85 -85.8 163.87 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -90.0 161.63 15.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.183 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 21.0 ttpp -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.596 0.56 . . . . 0.0 111.006 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.73 -53.68 53.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.05 -43.25 88.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.429 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.02 -46.05 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.327 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HG2' HH21 ' A' ' 36' ' ' ARG . 45.0 mt-10 -55.31 -48.69 73.74 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.22 -35.49 81.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.556 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.49 -37.51 65.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.281 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' ALA . 88.1 t -65.82 -46.3 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.111 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 55' ' ' GLU . 94.0 t -59.4 -36.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.425 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.2 t70 -63.27 -49.8 72.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.24 176.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -55.35 -45.77 76.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.735 0.779 . . . . 0.0 110.159 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -65.13 -37.32 87.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.612 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 t -81.31 -14.91 56.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.425 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 52.5 mtt180 -89.19 -42.17 11.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 0.0 111.099 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 34.4 m-80 -92.95 -47.6 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.254 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 79.2 -1.41 2.27 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.334 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 34.7 t80 -91.82 84.42 5.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.996 0.426 . . . . 0.0 110.558 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 15.3 ttm180 -106.64 8.19 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.56 -175.687 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -100.23 135.63 41.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.215 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.872 ' HE3' ' HA3' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -60.34 113.98 2.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.87 155.63 37.3 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.822 -173.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 115.54 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.877 ' HB1' ' HB2' ' A' ' 10' ' ' TRP . . . -64.3 87.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.869 0.73 . . . . 0.0 112.198 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.73 54.65 0.76 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.03 -55.02 0.34 Allowed Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 9.3 p30 -65.73 -32.89 74.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 0.0 110.661 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.877 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 26.2 t-105 -57.07 -50.93 71.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.738 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -81.75 -44.38 17.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.701 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.24 -40.99 77.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -172.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 49.6 m-85 -84.73 -11.33 56.04 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.409 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 42.5 mtpt -60.08 -41.95 93.53 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 166.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -70.12 -47.36 45.85 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.927 175.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.1 mptp? -63.29 -46.76 85.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 24' ' ' LEU . 91.3 t -64.2 -34.57 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' CE ' ' A' ' 29' ' ' MET . 11.5 mmmm -72.08 -28.97 63.66 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.032 -0.417 . . . . 0.0 111.072 176.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 51.7 mt-10 -65.24 -47.0 78.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.495 0.664 . . . . 0.0 109.324 170.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.615 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 33.1 tp60 -50.85 -60.74 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.792 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.825 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -122.95 -55.8 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.101 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.06 -28.29 6.76 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.234 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 7.3 mmtt -70.6 -6.86 39.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.247 0.546 . . . . 0.0 110.445 176.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.809 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 4.9 mt -74.27 -178.46 3.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.688 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 p -149.8 155.46 40.13 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.835 -0.166 . . . . 0.0 110.9 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.71 -35.37 30.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . 8.9 t70 -58.29 -39.67 79.91 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.117 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.809 ' OD2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.41 -47.85 69.05 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -178.001 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.63 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 2.8 mtp -69.15 -29.1 67.05 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.158 -164.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.1 t -68.69 -25.05 64.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.375 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -91.19 -38.81 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 176.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -81.74 -17.09 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -169.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -31.92 -48.44 0.16 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.872 ' HA3' ' HE3' ' A' ' 3' ' ' LYS . . . -139.25 45.32 1.03 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.418 175.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 75.4 mmtt -131.75 96.5 3.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.7 -50.7 54.43 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.981 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.65 -40.62 79.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.625 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 26.3 mm-40 -69.36 -36.76 77.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.883 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 24' ' ' LEU . 44.1 tp -64.17 -39.04 93.16 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.788 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -55.29 -51.62 54.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.363 175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.659 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 46.2 mmtt -69.6 -41.28 75.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 49' ' ' TYR . 89.8 mt -61.75 -40.11 85.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.596 175.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.1 mt-30 -63.9 -27.13 68.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.299 0.571 . . . . 0.0 110.319 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.38 -54.34 5.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.017 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.9 mmp_? -65.72 -58.08 6.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.704 -173.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.6 m-85 -80.33 -46.4 16.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.081 0.467 . . . . 0.0 111.013 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.43 46.09 1.73 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.699 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 43' ' ' ILE . 25.3 m-85 -91.16 169.79 10.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.982 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -85.32 155.35 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.178 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.21 -32.19 66.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.55 -56.12 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.428 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -69.24 -44.64 71.57 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.666 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.89 -46.52 81.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 mt-10 -65.09 -39.93 93.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.91 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.98 -40.78 90.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.7 t -63.56 -44.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.974 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 71.9 t -60.83 -39.54 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 122.487 0.315 . . . . 0.0 111.229 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 25.9 t70 -64.47 -54.0 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 91.3 t90 -56.42 -38.48 71.63 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 110.147 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.631 ' HB2' HH12 ' A' ' 68' ' ' ARG . 12.2 tt0 -52.2 -55.66 19.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.389 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.3 m -65.08 -29.7 70.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 30.0 mmt180 -64.71 -44.66 89.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.212 0.53 . . . . 0.0 110.71 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.512 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.1 m-80 -105.77 -49.52 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.273 -171.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.8 mm-40 81.19 -38.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.953 0.901 . . . . 0.0 112.193 174.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 9' ' ' ASN . 2.2 t80 -76.06 93.25 3.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.831 0.348 . . . . 0.0 110.097 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.631 HH12 ' HB2' ' A' ' 62' ' ' GLU . 13.6 ttp180 -179.07 -43.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.799 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 5.5 m-90 . . . . . 0 C--O 1.249 1.07 0 O-C-N 124.307 1.005 . . . . 0.0 110.516 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.898 0.38 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.568 ' ND2' ' HE3' ' A' ' 35' ' ' LYS . 28.8 t-20 -100.57 122.29 43.0 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.949 ' HE2' ' HB3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -72.13 144.85 48.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -113.21 113.52 25.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.295 0.569 . . . . 0.0 110.759 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.06 137.06 52.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 172.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 10' ' ' TRP . . . -161.74 27.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 -68.31 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.309 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.68 -63.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.071 -173.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -83.82 -32.88 25.07 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 122.729 -0.277 . . . . 0.0 110.845 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 43.8 t90 -57.01 -41.01 77.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.113 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.32 -45.72 79.34 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.785 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -67.2 -32.61 73.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.467 0.651 . . . . 0.0 109.877 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.9 t80 -81.11 -44.26 18.2 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.557 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 39.4 ttpt -49.52 -49.69 44.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.189 176.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -63.99 -30.4 77.63 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.822 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HB3' ' HZ2' ' A' ' 61' ' ' TRP . 46.1 tttt -80.95 -28.87 35.52 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.658 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' CE3' ' A' ' 21' ' ' TRP . 47.8 t -68.17 -31.1 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.41 173.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.7 mtpt -73.59 -23.91 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 54.1 mt-10 -71.26 -47.22 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.883 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -63.04 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 17' ' ' VAL . 32.5 m-90 -83.76 -74.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.933 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.61 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 85.95 -21.93 13.8 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.936 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 9.6 mmtt -70.0 -21.36 63.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.112 0.482 . . . . 0.0 110.459 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.07 138.93 32.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.3 p -104.53 -176.49 3.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.364 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -42.01 82.98 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.719 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.2 t70 -51.74 -54.37 29.2 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.421 0.45 . . . . 0.0 110.668 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 32' ' ' ILE . 10.7 m-20 -59.61 -49.36 78.05 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.24 -175.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.559 ' SD ' ' HG3' ' A' ' 14' ' ' LYS . 62.7 mtt -72.36 -19.35 61.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.978 -173.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.8 m -77.3 -26.88 52.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.178 0.514 . . . . 0.0 109.78 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.719 HG13 ' O ' ' A' ' 27' ' ' ASP . 3.7 mt -78.0 -26.94 14.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.351 0.596 . . . . 0.0 109.429 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.17 -51.46 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.13 -175.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 3.7 tm-20 68.87 -58.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.86 0.725 . . . . 0.0 111.716 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.89 22.62 0.03 OUTLIER Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 59.5 mttp -88.65 127.59 35.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 0.0 110.419 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -65.2 -44.18 89.17 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.01 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.96 -43.29 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.168 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 5.4 mm-40 -60.8 -40.31 92.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.836 -177.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.726 HD22 HH12 ' A' ' 68' ' ' ARG . 52.0 tp -63.37 -43.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.28 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 74.6 t -54.97 -46.14 76.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 110.187 177.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -59.08 -49.91 73.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.125 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' OE2' ' A' ' 45' ' ' GLU . 33.2 mmtt -62.52 -39.27 93.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 39' ' ' LEU . 88.4 mt -56.83 -47.46 82.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 110.332 174.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -67.72 -19.51 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.222 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 42' ' ' LYS . 41.8 mt-10 -90.9 -55.39 3.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.951 0.405 . . . . 0.0 111.581 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.81 -36.69 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.196 -170.472 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 88.0 m-85 -91.38 -46.53 7.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.488 0.661 . . . . 0.0 110.427 174.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.66 32.72 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.112 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -79.0 171.43 15.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.462 0.648 . . . . 0.0 112.287 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -82.45 152.84 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.62 -34.94 71.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.337 0.589 . . . . 0.0 109.969 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.01 -56.34 20.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.84 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.21 -35.92 71.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.42 -47.48 81.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.255 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mt-10 -70.61 -34.48 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.308 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.13 -42.05 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.85 -34.6 78.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.878 0.37 . . . . 0.0 110.161 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 54' ' ' ALA . 54.8 t -61.0 -54.35 36.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 55' ' ' GLU . 88.3 t -56.08 -44.6 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.74 -61.6 2.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.526 0.679 . . . . 0.0 110.653 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.649 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.9 t90 -71.76 -24.28 61.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.76 -57.38 11.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.002 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.535 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 3.0 t -66.13 -19.32 65.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -174.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' A' ' 61' ' ' TRP . 84.4 mtt180 -60.44 -42.36 95.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 40.3 m-80 -103.19 -59.45 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.448 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.535 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 65.0 mm-40 86.48 -35.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.063 0.945 . . . . 0.0 111.48 173.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -79.9 82.56 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.357 0.598 . . . . 0.0 110.931 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.726 HH12 HD22 ' A' ' 39' ' ' LEU . 16.3 ttm-85 -129.24 -36.43 1.72 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.98 175.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.949 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 21.0 t-105 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.154 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -86.26 123.03 31.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -176.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.63 ' NZ ' ' HA ' ' A' ' 69' ' ' TRP . 23.1 ttpp -92.74 131.6 37.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 170.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.2 151.64 46.67 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -113.08 110.94 21.29 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.597 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . . . 63.77 -70.58 0.07 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.165 0.916 . . . . 0.0 111.568 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.06 64.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.62 -11.51 59.49 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.044 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.706 HD22 ' HE1' ' A' ' 67' ' ' TYR . 11.5 p30 -69.75 -18.74 63.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 117.426 0.613 . . . . 0.0 110.916 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.669 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 44.5 p-90 -57.29 -50.08 74.04 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.367 -172.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.06 -33.37 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.427 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -78.95 -45.07 21.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 31.1 m-85 -82.43 -9.6 59.37 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 120.896 0.379 . . . . 0.0 111.486 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 40.1 mtmt -60.8 -41.75 96.24 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 165.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.62 -41.62 34.9 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.187 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 9.0 mptt -63.93 -47.78 79.17 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.693 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 25.8 t -66.44 -30.56 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.39 176.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 11.2 tmtt? -68.49 -32.79 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.918 0.39 . . . . 0.0 110.115 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 39.5 mt-10 -68.52 -29.43 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.382 0.611 . . . . 0.0 110.046 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 38.1 tp60 -70.63 -59.62 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.132 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -129.69 100.77 5.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.23 -179.728 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.25 -6.98 59.22 Favored Glycine 0 CA--C 1.517 0.174 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.752 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 tmtt? -70.96 -28.56 64.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.013 0.435 . . . . 0.0 110.185 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' SD ' ' A' ' 29' ' ' MET . 68.6 mt -72.42 145.16 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.026 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' MET . 40.3 p -122.71 -178.92 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -176.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -53.09 -44.35 67.49 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.71 ' O ' HG13 ' A' ' 31' ' ' ILE . 19.1 t70 -54.78 -50.98 67.17 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 14.7 m-20 -59.7 -54.32 47.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.096 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.693 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 31.3 mmm -56.93 -39.94 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.29 -174.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.2 m -68.0 -28.17 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.501 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -83.94 -30.77 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.103 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.644 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 51.7 mt -74.78 -68.31 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.03 -177.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 4.8 pt-20 47.37 -60.2 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.779 1.632 . . . . 0.0 114.638 -174.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -152.71 17.12 0.74 Allowed Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -88.81 118.34 28.43 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.674 -177.263 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.594 ' HG3' ' NH2' ' A' ' 68' ' ' ARG . 2.7 tmt_? -63.74 -47.39 81.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.487 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.84 -34.06 77.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.376 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' HB3' HG12 ' A' ' 32' ' ' ILE . 33.2 mm-40 -64.34 -52.4 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.771 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 43' ' ' ILE . 35.5 tp -62.19 -39.39 92.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.646 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.632 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 70.6 t -53.36 -55.07 14.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.97 -41.91 98.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.267 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 43.2 mmtt -59.85 -45.35 92.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.5 mt -59.28 -44.63 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.919 0.39 . . . . 0.0 110.711 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 21.1 mt-30 -61.87 -26.43 68.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.637 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 53.8 mt-10 -96.26 -54.0 3.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.55 -44.14 97.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.707 -173.158 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 94.7 m-85 -89.56 -43.32 10.87 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.575 0.702 . . . . 0.0 109.965 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 99.45 47.93 1.75 Allowed Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.651 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HD2' HG22 ' A' ' 43' ' ' ILE . 22.7 m-85 -97.74 167.48 10.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.072 0.463 . . . . 0.0 111.104 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -82.77 156.76 23.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.898 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' OE1' ' A' ' 44' ' ' GLN . 18.4 ttpp -56.89 -36.19 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.324 0.39 . . . . 0.0 110.304 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.22 -55.47 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.149 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 51.6 tt0 -67.6 -41.69 83.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.405 -177.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.67 -47.03 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.168 -177.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.4 mt-10 -61.95 -37.64 85.47 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.085 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.77 -43.34 94.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.794 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 75.6 mt-10 -73.22 -31.24 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.279 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.2 t -65.85 -44.98 92.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 55' ' ' GLU . 74.6 t -56.78 -41.62 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.184 0.302 . . . . 0.0 111.28 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.53 -48.44 81.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.412 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.86 -42.93 98.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.528 0.68 . . . . 0.0 110.11 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.96 -50.39 74.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.379 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 59' ' ' VAL . 12.2 t -79.97 -14.55 58.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -84.28 -43.25 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.17 -59.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 76.85 -12.08 1.1 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.626 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.706 ' HE1' HD22 ' A' ' 9' ' ' ASN . 11.9 t80 -71.7 100.1 2.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.594 ' NH2' ' HG3' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -114.31 -5.53 12.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.03 -170.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.63 ' HA ' ' NZ ' ' A' ' 3' ' ' LYS . 20.1 p90 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.72 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -74.93 122.87 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.606 ' HE2' ' HA2' ' A' ' 34' ' ' GLY . 2.8 ttmp? -60.35 125.33 23.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.958 0.409 . . . . 0.0 110.817 -173.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.28 169.6 17.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.206 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.56 132.72 30.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.51 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.53 89.23 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.301 0.572 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.66 132.44 2.53 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.969 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.89 -72.23 2.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.394 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.641 HD22 ' HE2' ' A' ' 67' ' ' TYR . 28.9 p-10 -65.94 -36.96 84.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.168 0.509 . . . . 0.0 110.476 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.477 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 29.9 t-105 -69.75 -38.08 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.173 178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.17 -34.29 74.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.79 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.78 -42.11 91.17 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.83 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.685 ' HE2' ' HD2' ' A' ' 67' ' ' TYR . 16.3 m-85 -73.65 -36.79 65.43 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.98 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 54.7 mtpt -55.13 -42.18 72.66 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.691 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.02 -40.35 57.01 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.223 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 20.5 tptm -65.79 -42.95 90.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.059 0.456 . . . . 0.0 111.333 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.667 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 47.3 t -72.56 -25.84 23.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 42.7 mtpt -75.18 -18.78 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.368 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.28 -34.13 55.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.579 0.704 . . . . 0.0 109.186 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -70.76 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.774 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.5 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.4 m95 -127.8 96.66 4.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.846 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.34 -5.88 60.41 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.341 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.6 mmtt -75.39 -30.15 60.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.691 -0.3 . . . . 0.0 111.149 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 46' ' ' ARG . 57.9 mt -70.96 137.93 49.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.836 -176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -105.36 -170.55 1.76 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.753 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.76 -44.95 84.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.6 t70 -65.83 -38.28 88.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.312 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 46.5 m-20 -59.8 -54.46 45.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.067 0.461 . . . . 0.0 109.901 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.98 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 4.7 ttm -66.07 -33.12 75.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.08 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.1 m -54.87 -37.48 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.925 0.393 . . . . 0.0 110.655 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.5 mt -79.34 -24.83 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.111 0.482 . . . . 0.0 110.181 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD13 ' HG ' ' A' ' 39' ' ' LEU . 68.3 mt -80.61 -19.7 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 17.2 tt0 -28.08 -58.66 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.659 1.184 . . . . 0.0 113.49 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.606 ' HA2' ' HE2' ' A' ' 3' ' ' LYS . . . -123.15 20.21 7.59 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.388 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.0 mmtp -122.66 101.67 7.61 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.882 0.849 . . . . 0.0 111.721 -176.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -58.67 -43.08 89.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.346 176.223 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.77 -33.46 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.752 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 6.3 mm-40 -64.9 -42.05 95.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.544 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.708 ' HB2' HH22 ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.39 -40.71 97.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.718 177.574 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.7 t -55.44 -50.15 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.974 0.416 . . . . 0.0 110.049 175.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.11 98.41 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.591 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 60.4 mmtt -63.6 -42.41 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.1 mt -58.05 -45.74 88.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.166 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 45.9 mt-30 -61.73 -39.88 93.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.223 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.3 -39.22 15.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.89 -46.42 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.932 -173.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.0 m-85 -93.3 -46.04 7.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.392 0.615 . . . . 0.0 110.964 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.08 63.88 0.59 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.011 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 43' ' ' ILE . 29.4 m-85 -120.0 162.22 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 0.0 110.745 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -79.51 155.88 28.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.65 -33.69 70.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.89 -54.16 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.92 178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -72.22 -34.08 68.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.206 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.75 -46.76 88.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.1 mt-10 -64.6 -37.16 86.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.0 -44.39 97.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.99 -34.94 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ALA . 74.3 t -63.34 -46.08 96.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.62 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.5 t -61.11 -38.39 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.556 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.0 -51.74 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.213 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.589 ' HZ3' ' HD2' ' A' ' 68' ' ' ARG . 76.5 t90 -64.18 -39.46 94.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.483 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -55.23 -52.34 63.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.55 -177.07 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.597 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 14.2 t -70.65 -23.0 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.535 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -64.03 -43.29 96.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.749 0.309 . . . . 0.0 111.684 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.9 m-80 -103.84 -61.89 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.688 -171.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 54.5 mm-40 88.04 -32.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.25 0.969 . . . . 0.0 111.813 171.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.685 ' HD2' ' HE2' ' A' ' 13' ' ' PHE . 71.8 t80 -72.88 87.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.079 0.466 . . . . 0.0 110.365 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.708 HH22 ' HB2' ' A' ' 39' ' ' LEU . 69.3 ttt180 -156.09 2.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.66 -178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.301 -174.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -97.87 147.15 24.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.401 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -73.01 150.87 42.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.18 138.44 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.08 128.15 34.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.731 0.777 . . . . 0.0 112.067 -170.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 10' ' ' TRP . . . -103.59 111.1 23.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.268 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.12 -53.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.426 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.15 -34.43 4.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.676 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.603 HD22 ' HE2' ' A' ' 67' ' ' TYR . 18.9 p-10 -70.98 -27.23 63.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.659 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.76 -38.0 89.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -61.24 -45.55 94.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.923 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.659 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 55.9 m-85 -81.64 -11.42 59.1 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 53.3 mtpt -63.31 -35.2 79.58 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.54 -45.66 28.28 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.479 173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 6.1 mptt -62.86 -44.46 96.05 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 95.5 t -62.74 -35.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.294 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -74.06 -26.81 60.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.745 -0.597 . . . . 0.0 111.41 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -70.07 -39.77 75.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 109.443 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 37.1 tp60 -59.12 -61.91 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.005 175.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 2.7 m95 -114.94 -70.29 0.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.27 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 -25.04 23.51 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.3 tmtt? -71.08 -8.71 55.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.415 0.626 . . . . 0.0 110.036 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 42' ' ' LYS . 89.9 mt -86.61 169.19 12.96 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.478 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 12.4 p -131.52 -173.49 3.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.037 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.4 t70 -64.2 -34.77 78.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 111.5 -176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.567 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.1 p30 -65.78 -19.86 66.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.89 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 13.0 t70 -71.48 -63.54 1.1 Allowed 'General case' 0 CA--C 1.492 -1.283 0 CA-C-O 122.339 1.066 . . . . 0.0 108.821 171.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.566 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -61.16 -37.24 82.18 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.572 -164.606 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.587 ' HA ' ' HZ3' ' A' ' 10' ' ' TRP . 27.5 m -67.36 -36.22 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.304 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.721 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 4.0 mt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 111.167 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 38' ' ' GLN . 1.7 mp -90.6 -20.17 6.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -171.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.25 -45.11 1.33 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 14.52 6.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.578 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.721 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 7.2 mptt -121.63 113.95 20.47 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.654 0.74 . . . . 0.0 111.566 -177.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -64.02 -43.67 94.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.28 -41.86 80.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HB3' HD12 ' A' ' 32' ' ' ILE . 79.8 mm-40 -63.29 -46.39 86.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.857 -177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.647 HD23 HG13 ' A' ' 58' ' ' VAL . 37.4 tp -61.41 -34.39 75.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 81.6 t -55.33 -49.23 74.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.32 176.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.31 -48.4 83.83 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.635 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 69.8 mmtt -59.77 -47.1 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' HD2' ' A' ' 49' ' ' TYR . 68.1 mt -58.04 -40.95 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 50.2 mt-30 -63.76 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 58.8 mt-10 -89.67 -46.67 8.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.656 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -72.06 -45.92 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.738 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 96.3 m-85 -92.84 -43.85 8.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.0 110.42 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.96 60.71 0.87 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.756 -174.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' HD2' HG22 ' A' ' 43' ' ' ILE . 32.1 m-85 -109.76 159.76 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -70.22 146.95 50.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.355 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 59.2 tttm -52.54 -38.45 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.348 0.405 . . . . 0.0 111.117 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.67 -52.81 62.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.022 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.47 -41.87 79.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.653 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.4 -46.16 83.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.072 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 45.0 mt-10 -59.38 -43.48 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 110.479 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.97 -39.76 93.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.318 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -72.54 -31.42 65.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.116 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 54' ' ' ALA . 48.9 t -66.23 -49.89 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 174.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.05 -37.17 71.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.096 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.38 -47.05 85.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.321 0.581 . . . . 0.0 109.77 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 20' ' ' GLN . 86.0 t90 -58.56 -43.3 89.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.024 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.17 -37.47 85.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.039 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.9 t -79.27 -19.78 49.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.76 0.314 . . . . 0.0 111.109 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -87.48 -42.71 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.2 m-80 -92.81 -34.53 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.671 -177.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 79.58 -41.63 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.692 166.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.659 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 42.8 t80 -85.63 86.87 7.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 111.833 -170.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -111.25 -18.67 12.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 72.9 t90 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.571 177.182 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.521 0.201 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -93.45 146.99 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.134 0.492 . . . . 0.0 111.235 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' A' ' 69' ' ' TRP . 12.6 mptt -90.2 152.41 21.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.97 166.27 22.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 153.56 41.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.098 0.475 . . . . 0.0 111.369 -173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.64 90.19 5.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.03 113.81 1.38 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.494 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.76 -45.32 2.68 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.744 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -64.48 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.7 0.4 . . . . 0.0 111.256 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.547 ' HA ' ' OE2' ' A' ' 33' ' ' GLU . 62.8 p-90 -60.19 -38.21 82.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.807 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 110.878 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -79.17 -50.08 11.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.106 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 46.5 m-85 -81.47 -13.18 58.47 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.746 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.742 ' HE2' ' HB3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -58.73 -47.88 83.07 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.462 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.611 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.23 -44.24 76.51 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.312 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.5 mptp? -60.36 -50.72 72.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 13' ' ' PHE . 40.4 t -61.74 -34.71 63.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.771 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -69.43 -23.18 63.65 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 41.2 mt-10 -69.77 -41.8 74.66 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -66.97 -53.23 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.631 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.852 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -138.37 108.39 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.14 -176.503 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 41.53 2.43 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.034 -0.603 . . . . 0.0 114.481 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 7.1 mttp -116.95 -29.6 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.283 0.541 . . . . 0.0 110.683 172.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 28' ' ' ASP . 76.2 mt -63.27 124.97 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -106.11 -167.46 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.585 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.09 -45.17 64.73 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.753 0.421 . . . . 0.0 111.959 -174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.773 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.5 t70 -58.65 -55.92 28.91 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.066 0.46 . . . . 0.0 110.13 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.911 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.5 m-20 -59.01 -50.02 75.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.611 -173.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.742 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 1.9 mmt -60.42 -37.81 82.06 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.919 -174.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -77.2 -33.27 56.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.606 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.773 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.6 mt -69.02 -33.47 59.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.041 0.448 . . . . 0.0 110.581 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -84.48 -69.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.7 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE2' ' HA ' ' A' ' 10' ' ' TRP . 6.9 tp10 69.0 -59.84 0.47 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.311 1.007 . . . . 0.0 111.836 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.22 2.95 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 81.0 mttt -71.71 120.82 17.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.279 0.562 . . . . 0.0 110.363 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -67.69 -37.29 82.1 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.065 -175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.8 -40.6 97.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.094 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.2 mm-40 -70.5 -35.86 73.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.023 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -66.25 -41.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.652 177.163 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 78.2 t -54.95 -49.94 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 120.98 0.419 . . . . 0.0 109.974 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -59.29 -52.75 51.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.263 178.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 32.0 mmtt -60.1 -39.1 85.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 39' ' ' LEU . 61.3 mt -62.48 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.491 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -62.27 -42.04 98.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 64.4 mm-40 -78.65 -54.4 6.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.722 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 1.2 tpt180 -69.03 -44.11 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.414 0.626 . . . . 0.0 111.034 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 17.3 m-85 -94.75 -29.71 14.63 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.191 -171.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.64 55.43 2.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.052 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' HD2' HG22 ' A' ' 43' ' ' ILE . 36.3 m-85 -116.94 162.09 18.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.832 0.348 . . . . 0.0 110.674 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.17 156.32 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.605 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -51.21 -39.6 56.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.628 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 24.3 t70 -56.33 -60.68 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.288 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 51.3 tt0 -66.43 -35.74 81.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.838 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.86 -46.9 82.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.266 -177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.6 mt-10 -67.56 -29.06 68.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.964 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 97.4 mttt -58.84 -51.69 68.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 110.42 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.73 -36.92 84.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ALA . 77.9 t -65.17 -48.96 81.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.319 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLU . 68.8 t -56.95 -39.5 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.91 -53.39 47.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.572 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 63.2 t90 -58.41 -42.39 87.1 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.352 0.596 . . . . 0.0 109.78 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 25.0 tt0 -50.88 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.828 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.6 m -69.13 -25.46 64.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.101 -173.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -74.68 -42.56 58.23 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.624 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.909 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 75.55 -0.52 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.95 85.52 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -133.21 7.51 3.94 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.759 -173.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.495 ' HA ' ' HG3' ' A' ' 3' ' ' LYS . 42.7 p-90 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.439 -174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.363 0.125 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -77.32 -30.08 53.9 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.57 -45.43 77.33 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -73.48 -40.07 48.62 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.177 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 28.2 tptt -59.25 -53.04 62.82 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' CE3' ' A' ' 21' ' ' TRP . 58.2 t -61.67 -38.91 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.309 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 56.4 mtpt -70.63 -12.54 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.4 mt-10 -87.97 -47.51 8.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.177 0.513 . . . . 0.0 110.35 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.564 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.0 tp60 -70.25 -49.48 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.092 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.752 ' CH2' HD21 ' A' ' 39' ' ' LEU . 9.5 m-90 -94.82 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.14 -27.52 18.86 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.656 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 mmtt -69.96 -27.54 64.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.071 0.462 . . . . 0.0 110.268 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.05 137.37 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.123 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' MET . 54.5 p -98.51 174.31 6.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.24 -30.84 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.422 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.0 t70 -70.06 -42.53 72.72 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.642 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 24.6 m-20 -60.06 -44.71 94.51 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.793 0.806 . . . . 0.0 109.114 177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 29' ' ' MET . 1.3 mmt -53.95 -53.1 57.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.342 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 27' ' ' ASP . 14.8 t -63.84 -25.14 68.03 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -173.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.4 mt -75.83 -29.14 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.653 177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 38' ' ' GLN . 56.3 mt -79.27 -69.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 65.44 -60.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.126 0.891 . . . . 0.0 112.598 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.94 12.9 0.1 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.5 mptt -89.66 121.83 32.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.205 0.526 . . . . 0.0 110.451 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -61.48 -43.97 97.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.956 175.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.17 -44.57 96.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.196 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 1.5 mm-40 -61.91 -40.95 97.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' CH2' ' A' ' 21' ' ' TRP . 22.2 tp -63.34 -40.29 96.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.177 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.1 t -56.31 -47.57 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 175.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.53 -45.01 96.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.211 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 31.7 mmtt -62.56 -40.92 98.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 94.4 mt -59.32 -41.03 82.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.168 0.509 . . . . 0.0 110.012 175.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 44.2 mt-30 -74.05 -16.22 61.05 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.63 -54.44 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 111.225 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -45.76 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.157 -172.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.2 m-85 -87.53 -45.62 10.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.459 0.647 . . . . 0.0 109.902 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.67 30.3 7.29 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.275 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.8 m-85 -74.81 170.92 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.366 0.603 . . . . 0.0 111.466 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -89.01 164.81 14.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.422 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -57.6 -40.08 78.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.702 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.54 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.839 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tp60 -70.19 -38.42 75.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.77 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.88 -48.38 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.389 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 15.2 mt-10 -73.08 -25.7 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.061 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -59.42 -46.47 88.62 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.251 0.548 . . . . 0.0 109.814 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -73.1 -36.92 66.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.728 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 54' ' ' ALA . 53.5 t -60.75 -52.46 61.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 85.4 t -60.07 -42.58 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.708 0.289 . . . . 0.0 110.924 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.0 t70 -59.05 -56.36 23.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.847 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.3 t90 -63.14 -36.13 82.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -54.44 -58.65 6.64 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.679 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -61.5 -26.02 67.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.957 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 48.5 mtt180 -65.75 -39.58 91.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.242 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.57 -66.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.287 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.942 0.897 . . . . 0.0 112.203 174.371 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 . . . . . 0 N--CA 1.457 -0.11 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 65' ' ' ASN . 3.2 m-85 -82.69 -17.1 45.67 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -173.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 1.002 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 47.3 mtmt -65.39 -41.07 94.1 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.169 -1.012 . . . . 0.0 109.239 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.16 -36.73 34.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.671 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 19' ' ' GLU . 20.8 tptt -65.5 -47.55 75.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 111.035 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 21' ' ' TRP . 88.9 t -64.16 -30.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.544 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.0 mttm -67.37 -22.66 65.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.466 -0.493 . . . . 0.0 111.881 173.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 16' ' ' LYS . 45.6 mt-10 -74.04 -42.44 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.176 0.513 . . . . 0.0 110.45 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 8.8 tp60 -78.97 -51.0 10.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.751 ' CZ3' HD21 ' A' ' 39' ' ' LEU . 6.8 m-90 -102.27 -76.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 97.62 -32.52 6.7 Favored Glycine 0 CA--C 1.509 -0.301 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.587 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 tmtt? -69.75 -14.58 62.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.674 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 38.3 mt -78.04 174.64 10.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.645 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -141.56 -172.54 3.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.197 0.523 . . . . 0.0 111.489 -167.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.52 -34.53 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.633 ' O ' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -56.67 -55.18 37.32 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.339 176.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.7 -41.63 78.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -172.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.002 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 15.4 ttm -79.21 -15.26 58.32 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.536 -167.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.6 t -76.72 -25.16 53.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -84.37 -42.63 17.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.077 0.465 . . . . 0.0 109.913 175.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.63 HD11 ' HG2' ' A' ' 42' ' ' LYS . 1.3 mp -71.72 -70.39 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.364 -177.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 66.83 -58.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.843 0.714 . . . . 0.0 112.3 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.9 52.05 0.15 Allowed Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -126.91 128.07 45.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.04 0.448 . . . . 0.0 110.109 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -64.29 -52.4 58.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.964 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.81 -40.49 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.622 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 56.6 mm-40 -62.9 -46.39 88.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.047 -176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.751 HD21 ' CZ3' ' A' ' 21' ' ' TRP . 15.9 tp -63.22 -41.54 99.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.729 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.7 t -52.02 -45.13 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.296 175.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -46.9 93.5 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.478 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HG2' HD11 ' A' ' 32' ' ' ILE . 50.7 mmtt -66.95 -39.45 87.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 39' ' ' LEU . 29.4 mt -54.61 -45.54 72.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-O 121.001 0.429 . . . . 0.0 110.337 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 43.4 mt-30 -70.61 -22.44 62.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.295 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.15 -54.17 4.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.47 . . . . 0.0 111.286 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -73.54 -40.73 63.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.064 -170.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 92.4 m-85 -92.64 -43.87 8.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.869 0.843 . . . . 0.0 110.1 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.05 36.31 5.01 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.169 -171.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 16.3 m-85 -79.41 176.7 9.45 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.934 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -91.2 153.33 20.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.535 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -55.45 -33.17 63.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 0.0 110.272 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.68 -53.98 51.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.056 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.09 -37.87 75.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.407 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.96 -47.16 83.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.111 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.4 mt-10 -67.2 -39.18 86.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.94 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.71 -44.49 93.68 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.52 -34.82 70.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 54' ' ' ALA . 42.2 t -60.66 -53.05 54.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.65 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.8 t -58.3 -38.03 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 121.256 0.55 . . . . 0.0 110.881 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 27.7 t70 -67.81 -50.75 55.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.254 0.549 . . . . 0.0 110.743 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 79.1 t90 -62.48 -43.8 97.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.559 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 7.6 pt-20 -63.77 -38.27 90.46 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.047 -175.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.8 m -67.24 -31.39 71.71 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 31.9 mtt180 -67.66 -42.9 81.47 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.079 0.466 . . . . 0.0 111.226 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.582 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 47.1 m-80 -100.31 -50.96 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.089 -169.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 6.9 mm-40 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 123.97 0.908 . . . . 0.0 112.62 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.697 0.284 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 82.1 m-85 -77.71 -24.01 49.31 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.011 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -53.12 -46.68 68.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 166.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.66 -53.19 21.42 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.373 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.2 mptp? -55.71 -50.08 71.29 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.145 0.472 . . . . 0.0 112.138 -176.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.553 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 74.4 t -57.4 -40.58 75.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.264 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.41 -13.44 61.46 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 42.5 mt-10 -90.61 -37.93 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.191 0.52 . . . . 0.0 110.04 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.9 tp60 -80.28 -37.54 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.273 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.794 ' CH2' HD21 ' A' ' 39' ' ' LEU . 10.7 m-90 -105.57 -60.77 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.027 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.58 -27.67 4.15 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 119.986 -1.102 . . . . 0.0 113.453 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -69.72 -21.65 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 175.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 42' ' ' LYS . 55.1 mt -88.23 137.94 31.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.809 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.697 ' O ' ' HG2' ' A' ' 29' ' ' MET . 73.1 p -113.42 174.24 6.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 -174.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.97 -36.46 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -55.24 -51.35 66.88 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 174.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.665 ' O ' HG13 ' A' ' 32' ' ' ILE . 9.4 m-20 -60.58 -47.5 85.94 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.707 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' A' ' 25' ' ' THR . 38.0 mmm -60.0 -36.68 77.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.803 -176.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.3 m -59.61 -31.11 69.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.316 0.579 . . . . 0.0 110.361 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -89.16 -20.52 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.427 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.4 mt -86.87 -68.8 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.821 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 17.0 tt0 63.82 -60.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -179.76 35.39 0.07 OUTLIER Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.962 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 66.6 mmtt -97.82 118.46 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.34 -38.87 85.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.387 0.613 . . . . 0.0 109.905 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.666 ' O ' HG12 ' A' ' 40' ' ' VAL . 25.2 t70 -72.18 -36.57 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.228 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 25.5 mm-40 -61.39 -47.92 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.639 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.794 HD21 ' CH2' ' A' ' 21' ' ' TRP . 32.6 tp -64.72 -41.82 95.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -59.75 -40.13 81.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 110.24 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -74.93 -40.61 35.24 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.638 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.729 ' HB3' HD21 ' A' ' 24' ' ' LEU . 28.2 mmtt -64.59 -37.36 87.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -58.4 -49.49 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.907 0.384 . . . . 0.0 110.028 172.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.23 -28.85 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.271 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 48.8 mt-10 -80.06 -50.81 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.661 ' HG3' HD23 ' A' ' 24' ' ' LEU . 20.5 mmt180 -73.48 -44.05 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -172.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -90.99 -44.43 9.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.296 0.569 . . . . 0.0 110.617 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.77 57.57 1.03 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.975 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.463 ' HD2' HG22 ' A' ' 43' ' ' ILE . 13.9 m-85 -108.95 179.56 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.405 0.621 . . . . 0.0 111.52 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.45 155.39 18.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.85 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.22 -25.72 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 110.082 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.634 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 32.7 t70 -56.48 -60.71 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 176.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.769 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -46.96 87.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.234 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HG2' HG21 ' A' ' 40' ' ' VAL . 28.5 mt-10 -64.2 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.946 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 50.7 mtpt -59.75 -42.62 93.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -73.53 -40.11 64.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.241 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 67.8 t -60.51 -54.8 30.16 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.93 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.38 -37.55 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 13.9 t70 -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 90.6 t90 -65.5 -40.64 93.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -42.95 82.18 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.6 m -73.92 -22.98 59.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.456 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.8 mtt180 -70.0 -42.54 72.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 111.131 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -96.97 -48.32 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.147 0.499 . . . . 0.0 110.226 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.473 0.686 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.18 174.685 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.691 0.282 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HA ' ' HB3' ' A' ' 16' ' ' LYS . 76.6 m-85 -80.72 -11.85 59.56 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.829 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HG2' ' HB3' ' A' ' 29' ' ' MET . 36.6 mtmt -60.0 -44.84 94.28 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 166.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.16 39.33 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.042 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 61' ' ' TRP . 53.0 tptt -59.75 -50.12 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 ' CE3' ' A' ' 21' ' ' TRP . 77.9 t -61.98 -37.12 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.653 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.1 mtpt -71.34 -14.97 62.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -84.93 -41.51 15.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.029 0.443 . . . . 0.0 110.459 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 4.2 tp60 -76.77 -43.84 35.35 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.331 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CH2' HD21 ' A' ' 39' ' ' LEU . 18.6 m-90 -102.46 -75.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.3 34.24 Favored Glycine 0 CA--C 1.51 -0.262 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.111 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.6 tmtm? -70.58 -24.59 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 110.058 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 46' ' ' ARG . 77.1 mt -80.75 136.63 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.46 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -108.44 -175.52 2.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.03 -40.52 85.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.331 -173.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.783 ' O ' HG13 ' A' ' 31' ' ' ILE . 16.7 t70 -55.75 -50.81 69.4 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.3 175.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 32' ' ' ILE . 12.3 m-20 -60.08 -49.18 78.66 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.468 0.652 . . . . 0.0 109.927 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.693 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 1.4 mmt -61.93 -36.54 81.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.858 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 27' ' ' ASP . 6.1 t -72.6 -24.11 61.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.111 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.783 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.3 mt -79.23 -34.14 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 29.5 mt -81.86 -65.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.491 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER 58.25 -52.01 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.25 1.42 . . . . 0.0 112.174 -171.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.82 20.82 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 84.1 mttt -79.6 130.43 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.722 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.04 -59.63 4.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.818 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.76 -35.64 66.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.621 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.736 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.7 mm-40 -68.85 -42.04 77.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.54 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.808 HD21 ' CH2' ' A' ' 21' ' ' TRP . 19.9 tp -69.13 -44.42 72.39 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.098 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.734 HG22 HG21 ' A' ' 58' ' ' VAL . 93.4 t -55.33 -51.26 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.9 -50.22 67.7 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.19 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HG3' HD11 ' A' ' 32' ' ' ILE . 34.5 mmtt -59.26 -41.97 90.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' LEU . 98.2 mt -56.81 -48.87 80.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 110.705 174.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.267 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 57.8 mt-10 -86.72 -49.1 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.876 -174.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.1 tpt85 -66.37 -47.6 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.678 0.275 . . . . 0.0 111.385 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.9 m-85 -82.39 -45.57 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.0 110.467 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.96 3.2 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.838 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.18 172.58 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.56 160.77 14.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.525 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.33 -32.34 68.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.101 0.476 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.02 -54.96 40.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.435 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.6 -33.99 73.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.555 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.02 -47.19 75.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.273 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.92 -28.0 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -59.52 -49.33 78.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 110.05 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.94 -41.39 97.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.576 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.734 HG21 HG22 ' A' ' 40' ' ' VAL . 78.4 t -60.8 -60.24 2.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.379 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.03 -39.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.187 0.305 . . . . 0.0 111.806 -173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.745 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 12.4 t70 -64.6 -59.44 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.306 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.518 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.7 t90 -58.34 -37.65 75.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.33 0.586 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.69 -46.74 88.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.078 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.0 t -74.74 -18.57 60.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 110.96 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 34.3 mmt180 -70.66 -42.63 70.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.309 0.576 . . . . 0.0 110.38 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -102.93 -61.87 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -171.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.682 0.793 . . . . 0.0 112.716 176.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 91.6 m-85 -83.25 -9.25 59.23 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.586 -174.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -58.22 -48.15 81.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 167.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.15 -48.12 16.17 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.428 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.4 mptp? -60.9 -43.46 98.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 61.6 t -70.52 -30.35 42.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.416 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 29' ' ' MET . 52.4 mtpt -71.54 -20.95 61.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.462 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -72.79 -46.74 51.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 0.0 110.28 176.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -42.31 29.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 12.8 m-90 -120.25 87.74 2.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.7 30.77 2.52 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.838 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.2 tttt -117.42 -21.69 8.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.584 -0.363 . . . . 0.0 111.111 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 46' ' ' ARG . 69.8 mt -70.38 137.94 50.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.596 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.3 p -94.66 171.74 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.04 -39.1 77.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.726 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -61.01 -47.46 86.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.597 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.606 ' O ' HG13 ' A' ' 32' ' ' ILE . 73.5 m-20 -58.76 -48.83 79.88 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.098 0.475 . . . . 0.0 110.018 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.479 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 23.3 mmt -57.13 -40.72 77.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.6 m -69.6 -25.71 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.726 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.9 mt -81.56 -24.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.442 . . . . 0.0 110.051 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.64 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.175 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 15.1 tt0 67.48 -59.91 0.39 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.06 0.85 . . . . 0.0 111.648 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.97 21.52 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 62.1 mttp -88.56 132.52 34.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.135 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -48.98 72.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.831 -172.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.46 -33.71 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.126 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 19.7 mm-40 -62.13 -45.48 93.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.276 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.15 -46.41 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.894 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.0 t -54.87 -46.43 75.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.376 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.33 86.61 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.025 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG3' HD11 ' A' ' 32' ' ' ILE . 45.2 mmtt -59.59 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 39' ' ' LEU . 75.5 mt -56.11 -48.26 79.33 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.131 0.491 . . . . 0.0 110.535 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -64.71 -26.96 68.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.348 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -101.4 -41.98 6.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.661 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -67.77 -49.92 59.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 110.747 -176.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 84.3 m-85 -87.28 -45.3 10.74 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.753 0.787 . . . . 0.0 109.922 174.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 105.9 26.2 6.18 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.251 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.0 m-85 -74.15 159.71 32.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.0 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -76.27 163.03 27.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.308 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 23.1 ttpp -66.25 -24.91 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -56.66 -60.37 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.182 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -63.31 -41.7 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.635 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.87 -48.48 79.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.599 -176.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 33.6 mt-10 -71.74 -33.96 69.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.145 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.66 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 110.792 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.3 -32.0 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 41.2 t -63.8 -47.84 89.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.979 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 93.9 t -60.1 -42.24 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.323 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.8 t70 -62.74 -54.36 40.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.131 0.491 . . . . 0.0 110.663 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.58 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.716 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 9.2 tp10 -49.12 -65.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.07 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.402 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 31.7 m -64.53 -23.22 67.2 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.03 -175.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 94.2 mtt-85 -68.88 -39.89 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.5 m-80 -102.2 -57.19 2.11 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.876 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.8 mm-40 . . . . . 0 N--CA 1.472 0.627 0 O-C-N 124.241 0.963 . . . . 0.0 111.068 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 . . . . . 0 CA--C 1.51 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' O ' HG23 ' A' ' 17' ' ' VAL . 7.1 t80 -74.48 -39.4 62.49 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.255 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.765 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 50.5 mtmt -54.37 -42.78 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.748 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.55 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -61.52 -37.96 95.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.495 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HZ2' ' A' ' 61' ' ' TRP . 50.5 tptt -66.18 -42.14 89.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.764 HG22 ' CH2' ' A' ' 61' ' ' TRP . 12.8 t -66.79 -34.82 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.922 0.392 . . . . 0.0 110.3 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -71.58 -21.4 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.4 mt-10 -71.54 -35.92 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.751 172.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.33 -60.19 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.921 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 3.6 m95 -122.46 98.18 5.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.829 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.47 5.44 28.92 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.066 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.4 tmtp? -90.81 -19.39 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 110.614 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD23 ' HG2' ' A' ' 46' ' ' ARG . 18.5 mt -75.46 149.45 38.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.456 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 34.1 p -108.6 -176.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.31 -44.08 59.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.761 ' O ' HG12 ' A' ' 31' ' ' ILE . 4.8 t70 -54.37 -40.55 68.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.394 0.616 . . . . 0.0 110.227 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 3.1 t70 -58.62 -54.38 47.75 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.176 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.765 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 12.8 ttm -84.36 -15.43 46.45 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.433 -168.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -70.74 -36.06 72.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 109.76 169.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.761 HG12 ' O ' ' A' ' 27' ' ' ASP . 33.7 mm -71.82 -30.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.777 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.679 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 36.9 mt -76.69 -64.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.247 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 66.75 -58.31 0.39 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.634 0.773 . . . . 0.0 111.535 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.13 30.03 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.749 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 55.9 mmtt -96.55 128.65 43.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -63.73 -45.63 89.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.23 -37.98 82.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.577 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.779 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 29.5 mm-40 -65.52 -46.77 78.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.102 -176.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 43' ' ' ILE . 33.8 tp -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.339 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 89.2 t -52.02 -50.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.22 -48.07 85.34 Favored Glycine 0 CA--C 1.52 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.952 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 44.9 mmtt -58.75 -45.65 89.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.883 0.342 . . . . 0.0 111.572 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.521 HG22 ' HD2' ' A' ' 49' ' ' TYR . 77.4 mt -55.77 -42.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.5 mt-30 -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -84.19 -41.61 16.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 111.626 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 28' ' ' ASP . 2.8 mpt_? -80.55 -45.15 17.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.52 -169.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.5 m-85 -94.71 -34.38 12.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.34 0.59 . . . . 0.0 110.35 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 91.37 42.38 4.9 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.305 -175.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 43' ' ' ILE . 18.6 m-85 -82.99 161.93 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.143 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -73.98 147.18 43.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.383 171.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.0 ttpp -56.66 -32.53 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 110.04 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.21 -53.0 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.669 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -72.61 -34.58 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.595 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.81 -46.98 88.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 43.4 mt-10 -61.58 -39.27 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.06 -54.3 46.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.75 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -65.86 -33.06 74.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.774 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 54' ' ' ALA . 52.5 t -64.53 -57.06 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.792 176.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.26 -41.26 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.624 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 17.2 t70 -58.93 -64.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.276 0.56 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.764 ' CH2' HG22 ' A' ' 17' ' ' VAL . 86.7 t90 -65.98 -33.23 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.57 -55.45 29.23 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.643 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 m -62.23 -26.41 68.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.322 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 21.1 mmt180 -61.69 -42.68 99.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.848 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.1 m-80 -104.22 -45.09 4.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.046 -170.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 123.669 0.788 . . . . 0.0 113.001 166.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.665 0.269 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -84.79 -29.12 25.68 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.939 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 34.4 ttpt -57.29 -35.11 69.39 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.18 -49.66 38.58 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.548 173.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.16 -42.45 96.74 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.647 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 99.3 t -59.74 -38.31 75.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 174.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 58.5 mtpt -73.97 -13.52 60.89 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.642 0.258 . . . . 0.0 111.353 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 52.2 mt-10 -83.5 -37.5 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.521 ' CE3' HG13 ' A' ' 17' ' ' VAL . 20.9 m-90 -94.69 -76.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.223 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.83 -19.66 36.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.736 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.581 ' HD2' ' HG3' ' A' ' 46' ' ' ARG . 4.1 tmtp? -70.82 -20.78 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.405 0.621 . . . . 0.0 109.82 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 42' ' ' LYS . 86.4 mt -81.09 146.81 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.046 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 p -105.21 -173.12 2.23 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.31 -44.53 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.669 ' O ' HG13 ' A' ' 31' ' ' ILE . 21.7 t70 -66.11 -41.6 90.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.509 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 32' ' ' ILE . 19.9 m-20 -59.69 -52.43 65.52 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.476 0.655 . . . . 0.0 109.619 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.939 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 7.7 ttm -67.33 -32.43 73.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.049 -175.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.1 m -62.92 -31.02 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.609 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.7 mt -74.38 -27.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.592 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -82.33 -77.31 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.644 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 66.08 -59.73 0.31 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.996 0.918 . . . . 0.0 112.032 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -147.45 -7.68 0.25 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.332 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 33.1 mmtp -70.77 113.35 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.0 111.296 -175.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -51.91 -49.02 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.869 173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -54.08 -48.74 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.238 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.751 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.3 mm-40 -62.59 -40.15 95.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.402 HD22 HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.66 -36.58 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.107 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -59.18 -47.73 89.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -47.24 91.49 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.182 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB3' HD21 ' A' ' 24' ' ' LEU . 55.6 mmtt -62.84 -45.76 91.1 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 96.3 mt -56.08 -48.2 79.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.792 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.8 mt-30 -57.52 -45.94 84.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.48 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.92 -27.51 17.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -169.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -76.38 -42.91 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.747 -178.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 71.4 m-85 -88.17 -46.41 9.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.522 0.677 . . . . 0.0 111.148 176.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.8 55.27 0.66 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.682 -170.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -112.68 169.74 8.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.181 0.515 . . . . 0.0 111.319 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -82.9 162.09 21.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.837 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 22.9 ttpp -59.98 -34.35 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.202 0.525 . . . . 0.0 110.057 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.09 -53.85 53.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.41 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.34 -41.42 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.901 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.61 -47.75 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.058 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 48.8 mt-10 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.011 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.92 -38.82 89.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.628 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -36.98 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -61.37 -48.22 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.461 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.4 t -60.57 -42.78 92.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.359 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.8 t70 -66.27 -49.98 65.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.764 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -64.59 -34.64 78.72 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.499 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -55.07 -49.32 71.94 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.7 t -73.39 -19.6 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.451 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 74.8 mtt180 -71.44 -44.53 64.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.388 . . . . 0.0 111.217 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -104.56 -56.26 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 N--CA 1.47 0.555 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.524 174.66 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 N--CA 1.45 -0.441 0 CA-C-O 121.245 0.545 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.404 ' HE1' ' HB3' ' A' ' 65' ' ' ASN . 14.0 t80 -73.26 -35.93 66.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.566 -169.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HG3' ' HB3' ' A' ' 29' ' ' MET . 38.8 ttpt -50.94 -38.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.45 0.643 . . . . 0.0 109.772 173.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -65.4 -40.7 96.53 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.688 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -65.68 -36.74 84.51 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.91 0.355 . . . . 0.0 111.512 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.62 HG22 ' CH2' ' A' ' 61' ' ' TRP . 4.1 t -68.74 -37.58 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.411 0.624 . . . . 0.0 109.463 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.21 -22.78 60.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.18 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 49.1 mt-10 -71.18 -36.31 71.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.8 -62.56 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.386 0.612 . . . . 0.0 109.591 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -106.16 89.5 3.08 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.602 -178.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.17 54.75 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.744 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mttp -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.249 0.524 . . . . 0.0 111.339 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 42' ' ' LYS . 34.1 mt -71.51 122.19 20.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.458 -175.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 29' ' ' MET . 61.3 p -97.11 176.9 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.064 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.96 -35.65 75.41 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.675 ' O ' HG13 ' A' ' 31' ' ' ILE . 12.0 t70 -59.7 -46.96 87.51 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.751 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 16.5 m-20 -59.88 -49.54 77.31 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.31 0.576 . . . . 0.0 109.716 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.667 ' HB3' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -56.46 -39.61 73.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.818 -177.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.9 m -68.86 -36.24 77.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.615 -177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.675 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.9 mt -72.26 -36.26 55.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.248 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 28' ' ' ASP . 51.3 mt -68.74 -59.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 67.59 -58.51 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 124.242 0.964 . . . . 0.0 111.835 176.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.78 31.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 1.034 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 34.3 mmtp -103.27 129.4 50.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.654 0.264 . . . . 0.0 110.901 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -65.97 -46.17 79.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.877 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.67 -40.16 96.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.98 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 1.034 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.04 -40.59 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.581 -177.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.1 tp -66.26 -42.91 87.84 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.972 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 77.5 t -52.92 -47.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.17 -54.96 32.98 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.057 175.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 48.2 mmtt -59.3 -38.1 79.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 39' ' ' LEU . 79.7 mt -59.88 -47.41 91.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.521 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 21.1 mt-30 -75.91 -20.56 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.637 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 46.6 mt-10 -95.23 -39.42 10.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.438 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -74.85 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.652 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.8 m-85 -94.22 -45.14 7.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.431 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.63 48.86 1.74 Allowed Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.856 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 42.5 m-85 -86.85 165.63 15.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -79.12 155.2 28.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.543 174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.81 -29.15 69.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.034 0.445 . . . . 0.0 110.399 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.63 -53.39 58.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -73.92 -33.78 64.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.528 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.83 -47.4 84.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -54.76 -55.39 30.58 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.86 -40.38 88.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.88 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.574 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 33.9 mm-40 -66.7 -42.33 86.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.109 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 54' ' ' ALA . 78.8 t -63.95 -57.8 10.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.02 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.41 -43.69 78.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 30.5 t70 -63.55 -57.41 10.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.929 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.62 ' CH2' HG22 ' A' ' 17' ' ' VAL . 91.3 t90 -63.33 -39.83 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.89 -61.04 2.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.059 177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.54 -16.09 62.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.682 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 86.6 mtt-85 -72.66 -30.64 64.45 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.158 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.4 m-80 -102.52 -58.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.297 -174.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.0 mm-40 . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 123.301 0.64 . . . . 0.0 112.501 171.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 . . . . . 0 C--O 1.233 0.206 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 68.4 m-85 -81.5 -22.88 37.71 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.827 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 22.2 ttmm -55.88 -43.0 76.78 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 171.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.494 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.17 -44.94 21.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.612 176.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 3.8 mptp? -61.09 -46.16 91.75 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.9 0.35 . . . . 0.0 111.897 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 84.4 t -62.59 -42.91 97.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.494 177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 16.8 mtpt -68.82 -12.69 61.8 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 46.0 mt-10 -76.58 -44.38 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 110.203 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.31 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.816 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -119.99 98.59 6.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.744 -178.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.2 12.66 63.78 Favored Glycine 0 C--N 1.317 -0.511 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 tttt -87.09 -37.39 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.824 0.812 . . . . 0.0 110.247 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 47.6 mt -59.69 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.02 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -98.57 -177.1 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.81 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.8 -44.22 90.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.521 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.611 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -54.99 -47.84 74.08 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.664 ' O ' HG13 ' A' ' 32' ' ' ILE . 21.5 m-20 -60.06 -53.61 55.72 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.827 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 mtm -73.11 -16.39 61.46 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.8 -175.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m -66.54 -37.36 84.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.7 mt -78.03 -30.54 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.921 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.682 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 41.2 mt -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.147 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 66.03 -58.25 0.34 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.721 0.638 . . . . 0.0 111.156 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.39 29.81 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 21.8 mmtp -92.26 126.76 37.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.0 tmt_? -62.71 -43.19 99.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.27 -39.25 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.414 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.633 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 50.1 mm-40 -65.65 -49.95 66.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.054 -175.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.7 tp -65.56 -38.97 91.1 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.672 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 68.5 t -55.45 -50.82 63.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.819 0.342 . . . . 0.0 110.154 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -65.13 -45.11 92.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.396 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 32' ' ' ILE . 42.5 mmtt -60.13 -45.42 93.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.8 mt -59.3 -41.88 85.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.954 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 72.8 mt-30 -61.74 -43.58 98.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.12 0.485 . . . . 0.0 111.044 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 44.8 mt-10 -80.3 -53.16 6.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.561 -172.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.54 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.8 tpt180 -66.67 -44.5 81.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 110.817 -173.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.816 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 25.4 m-85 -95.59 -16.48 22.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.338 -171.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.72 40.83 10.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.007 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.2 m-85 -98.55 165.81 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.99 0.424 . . . . 0.0 110.526 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.87 161.73 13.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 19.2 ttpp -52.95 -38.31 61.89 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.422 0.451 . . . . 0.0 110.755 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.5 -60.83 2.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.663 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 38.2 tt0 -71.41 -32.94 68.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.741 -174.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -64.43 -47.19 80.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.313 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.3 mt-10 -65.34 -32.12 73.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 86.5 mttt -59.49 -47.65 84.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -65.41 -34.62 78.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 54' ' ' ALA . 85.8 t -66.38 -46.82 85.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLU . 70.6 t -62.54 -40.93 90.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.694 0.283 . . . . 0.0 111.601 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 13.9 t70 -66.38 -52.07 50.54 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.4 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 86.1 t90 -60.45 -38.97 85.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.94 -58.44 5.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.133 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -64.59 -23.16 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 29.4 mmt180 -63.41 -42.81 98.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.29 0.567 . . . . 0.0 110.141 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.63 -71.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.86 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 124.113 0.965 . . . . 0.0 111.828 177.684 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 77.7 m-85 -85.35 -24.42 27.61 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.996 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 29' ' ' MET . 34.7 ttpt -59.62 -38.76 82.17 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 170.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -72.02 -51.67 13.72 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.129 174.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 13.6 mptt -54.01 -52.46 60.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.644 ' HB ' ' HE3' ' A' ' 29' ' ' MET . 59.7 t -56.43 -43.68 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.033 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' TRP . 40.8 mtpt -72.83 -16.06 61.61 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.8 mt-10 -74.74 -29.84 61.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -57.08 3.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.751 ' HZ2' ' HG3' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -121.47 96.0 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.252 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.11 -6.05 72.91 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 113.993 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 13.5 mmtt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.032 0.416 . . . . 0.0 111.741 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 46' ' ' ARG . 66.2 mt -62.38 150.89 38.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.918 -178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 p -121.06 -175.32 3.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.355 -172.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.37 -33.46 73.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.029 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.17 -37.97 75.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.734 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 28.2 m-20 -67.89 -51.3 49.63 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 122.031 0.92 . . . . 0.0 109.163 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.644 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 58.2 tpp -60.66 -42.15 96.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.659 -1.61 . . . . 0.0 112.174 -171.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.7 t -62.85 -24.15 67.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.233 0.54 . . . . 0.0 110.855 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.54 -30.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.213 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 19.6 mt -85.68 -71.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.437 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.9 pp20? 50.26 -57.89 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.311 1.445 . . . . 0.0 113.443 -166.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 62.73 0.32 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.267 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.9 mptt -132.17 124.96 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.369 -0.489 . . . . 0.0 110.255 173.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 tmt_? -60.37 -39.67 88.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.63 -45.16 88.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.85 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 32.9 mm-40 -65.95 -41.98 90.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.006 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' O ' HG13 ' A' ' 43' ' ' ILE . 26.8 tp -66.76 -39.92 88.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.469 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 63.1 t -54.95 -50.61 60.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.178 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -48.61 85.37 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.118 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 24.6 mmtt -59.77 -42.45 93.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.7 mt -58.63 -40.47 79.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.798 177.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 65.7 mt-30 -66.81 -31.33 71.89 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -89.75 -36.74 15.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.498 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.575 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -78.46 -57.27 3.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.864 -174.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.69 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.4 m-85 -84.34 -46.14 12.06 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 110.882 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 112.25 25.87 4.54 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.497 -177.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.12 171.49 14.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.322 0.582 . . . . 0.0 111.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -88.55 165.28 14.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.635 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -57.59 -42.71 83.74 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.367 0.417 . . . . 0.0 111.086 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.92 -52.96 63.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.0 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -64.31 -38.64 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.669 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.97 -47.07 81.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.843 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.6 -37.95 74.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.16 0.288 . . . . 0.0 111.087 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 9.7 mtpm? -58.1 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.371 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.751 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 23.7 mm-40 -73.31 -27.6 61.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.312 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.559 HG22 ' HG ' ' A' ' 39' ' ' LEU . 73.0 t -68.49 -59.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.566 177.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.23 -33.65 51.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.3 t0 -62.29 -62.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.277 177.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.3 t90 -58.46 -41.48 85.28 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.591 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.43 -50.84 64.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.496 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -68.14 -28.07 66.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.985 0.421 . . . . 0.0 111.376 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mtt180 -67.42 -42.45 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 111.231 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 36.1 m-80 -102.72 -35.41 8.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.921 -172.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 10.2 mm-40 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 123.564 0.746 . . . . 0.0 112.331 171.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -82.6 -22.59 34.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.998 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.16 -45.92 89.73 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.658 -0.817 . . . . 0.0 108.844 169.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.23 -33.85 52.87 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 40.3 tptt -68.51 -49.55 58.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 83.0 t -60.68 -34.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.133 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 93.8 mttt -75.74 -13.16 60.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.8 0.334 . . . . 0.0 111.497 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.54 -47.09 9.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.43 0.633 . . . . 0.0 109.864 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 21' ' ' TRP . 4.0 tp60 -76.31 -37.61 57.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 9.9 m-90 -113.75 -74.62 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 80.34 -14.99 19.85 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.84 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.996 ' HG2' ' HB3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -72.85 -14.09 61.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.299 0.571 . . . . 0.0 109.639 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 42' ' ' LYS . 20.4 mt -89.17 151.81 21.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.921 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 29' ' ' MET . 41.6 p -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.925 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -37.01 77.52 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -169.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.3 t70 -60.51 -41.57 94.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.252 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' ILE . 66.7 m-20 -61.94 -49.6 75.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.351 0.596 . . . . 0.0 109.549 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 25' ' ' THR . 29.8 mmm -55.41 -35.97 65.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.393 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.4 m -68.87 -29.27 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.168 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -85.93 -22.0 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 28' ' ' ASP . 57.5 mt -86.43 -62.33 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.451 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.58 -57.95 0.31 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.87 0.731 . . . . 0.0 111.206 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 179.22 18.89 0.03 OUTLIER Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.2 125.82 30.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.813 0.339 . . . . 0.0 110.124 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -59.64 -48.97 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.216 -176.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.67 -31.85 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -63.58 -46.46 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.661 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -65.27 -39.36 92.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 72.4 t -54.17 -52.71 35.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 110.374 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.81 -44.44 95.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.229 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.848 ' HB3' HD21 ' A' ' 24' ' ' LEU . 52.1 mmtt -65.29 -38.58 90.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 90.8 mt -62.75 -38.16 80.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.2 mt-30 -68.75 -20.2 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 31.5 mt-10 -90.89 -49.75 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.285 0.564 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.996 ' HB3' ' HG2' ' A' ' 23' ' ' LYS . 15.7 mmt180 -71.78 -55.87 6.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.175 -172.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 95.9 m-85 -89.71 -45.46 9.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.364 0.602 . . . . 0.0 109.637 176.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.17 41.17 2.66 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.535 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.527 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 76.2 m-85 -85.63 161.13 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -72.84 153.99 40.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -51.9 -42.93 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.316 0.385 . . . . 0.0 111.683 -175.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.96 -48.37 75.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.398 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 53.7 tt0 -76.03 -32.65 59.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.18 -45.96 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.204 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HG2' HG21 ' A' ' 40' ' ' VAL . 49.9 mt-10 -59.93 -35.81 75.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.81 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 59.8 tttp -59.58 -43.61 93.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.924 0.392 . . . . 0.0 110.325 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 21' ' ' TRP . 1.4 mm-40 -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.779 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.54 HG11 ' HG2' ' A' ' 36' ' ' ARG . 86.9 t -62.38 -47.84 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.0 t -64.66 -35.74 75.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.073 0.463 . . . . 0.0 110.731 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.75 -53.95 49.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.807 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -61.47 -40.58 95.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.791 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 59' ' ' VAL . 9.1 tt0 -55.05 -52.11 64.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 m -65.05 -29.67 70.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.27 -39.81 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.836 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.8 m-80 -98.76 -56.49 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.256 -174.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 42.3 mm-40 . . . . . 0 N--CA 1.475 0.819 0 O-C-N 124.508 1.13 . . . . 0.0 112.309 171.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HE2' ' HB3' ' A' ' 65' ' ' ASN . 46.8 m-85 -87.32 -18.01 31.11 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 170.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.53 -47.73 11.86 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.168 175.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -60.85 -43.75 97.92 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.23 -46.59 81.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.354 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 59.7 mttm -64.87 -24.79 67.64 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -68.0 -29.89 69.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.04 0.448 . . . . 0.0 110.334 176.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -63.25 1.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.647 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -121.08 96.1 4.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.997 179.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . -76.43 -10.54 85.6 Favored Glycine 0 C--N 1.319 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.693 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.37 -24.26 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.973 0.387 . . . . 0.0 110.982 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' OD2' ' A' ' 28' ' ' ASP . 14.5 mt -67.89 156.84 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.36 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 57.5 p -127.33 -167.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 111.744 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.83 -42.12 41.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.429 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.5 p-10 -68.14 -15.15 63.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.321 0.581 . . . . 0.0 110.229 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.823 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 11.1 t70 -75.08 -53.57 8.64 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 122.463 1.125 . . . . 0.0 109.078 173.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpp -75.2 -26.26 58.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 113.12 -1.855 . . . . 0.0 112.436 -168.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -69.19 -26.05 64.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.377 0.608 . . . . 0.0 110.033 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 27' ' ' ASP . 22.6 mm -83.67 -35.18 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.755 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 38.8 mt -90.06 -81.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.346 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER 54.2 -47.95 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.599 1.56 . . . . 0.0 113.896 -173.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.77 33.4 0.97 Allowed Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 67.5 mmtt -108.17 114.52 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.43 . . . . 0.0 110.456 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -65.42 -51.8 57.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.407 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.89 -35.8 77.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.043 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 13.2 mm-40 -64.45 -33.06 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.56 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HA ' HD13 ' A' ' 32' ' ' ILE . 46.1 tp -68.58 -40.44 80.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.809 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 87.6 t -54.16 -50.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.05 -49.63 73.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.79 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.823 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 40.7 mmtt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.956 0.378 . . . . 0.0 111.943 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.78 -45.15 91.45 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.982 0.42 . . . . 0.0 110.661 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.537 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 25.3 mt-30 -63.06 -23.71 67.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -91.55 -47.04 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.388 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.576 HH21 ' HB2' ' A' ' 28' ' ' ASP . 1.1 mpt_? -73.75 -46.31 46.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.95 -174.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.8 m-85 -94.07 -35.71 12.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.493 0.663 . . . . 0.0 110.413 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 89.16 59.19 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.239 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.43 ' H ' ' HA ' ' A' ' 44' ' ' GLN . 15.4 m-85 -104.45 169.31 8.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 0.0 111.104 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -84.94 156.52 21.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 13.3 ttpt -60.85 -27.53 68.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 110.074 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.0 -60.25 3.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.793 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.575 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 43.6 tt0 -68.83 -40.31 79.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.141 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.88 -47.32 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.841 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' OE1' ' HE3' ' A' ' 51' ' ' LYS . 33.4 mt-10 -65.07 -42.05 94.53 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.66 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 24.9 mm-40 -65.69 -40.92 92.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 54' ' ' ALA . 72.8 t -63.23 -51.02 76.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.8 t -59.04 -39.22 77.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.622 0.249 . . . . 0.0 111.427 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 23.0 t70 -60.55 -57.7 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.97 -40.67 94.27 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.76 -50.06 74.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 m -67.87 -24.34 65.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.1 mtt-85 -69.57 -42.01 75.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.078 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 50.0 m-80 -102.24 -58.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.666 -173.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 . . . . . 0 N--CA 1.475 0.816 0 C-N-CA 123.841 0.856 . . . . 0.0 112.53 176.459 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.483 0.182 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.61 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 23.5 m-85 -85.33 -29.58 24.38 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 1.079 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 53.3 mtpt -59.23 -41.37 88.5 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.73 -35.94 74.44 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.965 173.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 8.1 tptp -66.29 -47.29 74.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.796 0.298 . . . . 0.0 111.639 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 16.7 t -67.44 -27.82 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.235 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 60.6 mtpt -73.92 -25.83 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.341 176.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.3 mt-10 -66.95 -45.44 77.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 21.8 tp60 -57.71 -62.52 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.166 176.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.803 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -115.27 -69.91 0.83 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.24 -12.5 64.37 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.079 174.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.3 tmtp? -73.24 -13.69 61.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD23 ' HG2' ' A' ' 46' ' ' ARG . 71.7 mt -76.86 -178.22 4.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.579 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 28' ' ' ASP . 25.3 p -136.44 173.17 11.99 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.294 -170.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.931 -177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -73.09 -41.57 63.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' ' 32' ' ' ILE . 2.7 p30 -61.72 -43.34 99.04 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.112 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 1.079 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 28.0 ttm -79.28 -18.15 53.26 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.737 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.8 m -60.14 -32.27 70.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 109.355 167.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.5 mt -89.71 -31.03 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.334 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 28' ' ' ASP . 64.3 mt -73.81 -15.67 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -27.9 -59.06 0.11 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.432 1.082 . . . . 0.0 112.953 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.04 21.03 5.88 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.324 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.7 mmtp -115.38 99.58 7.49 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 111.382 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -37.96 80.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.399 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -43.34 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.048 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.7 mm-40 -65.68 -47.87 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.987 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.753 ' HG ' HG22 ' A' ' 58' ' ' VAL . 22.3 tp -60.84 -38.89 87.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.683 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.9 t -56.42 -53.03 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.438 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.13 -41.49 99.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.228 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' HD11 ' A' ' 32' ' ' ILE . 52.7 mmtt -65.12 -41.3 94.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' A' ' 49' ' ' TYR . 82.1 mt -63.57 -39.17 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.525 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 49.8 mt-30 -64.82 -24.89 67.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.191 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 49.6 mt-10 -93.17 -45.28 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.61 -44.44 57.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -173.212 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 91.3 m-85 -93.88 -39.49 10.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.438 0.637 . . . . 0.0 110.106 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.9 52.96 1.7 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.823 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.645 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.4 m-85 -98.07 175.39 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.272 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -92.25 167.06 12.28 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 62.2 tttp -57.69 -40.31 79.19 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.344 0.403 . . . . 0.0 110.546 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.61 -52.25 66.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.9 -45.96 86.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.689 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.77 -46.93 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 50.5 mt-10 -60.03 -40.77 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.992 -178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.93 -45.65 91.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.02 -39.98 83.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.792 0.33 . . . . 0.0 110.998 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.753 HG22 ' HG ' ' A' ' 39' ' ' LEU . 98.9 t -62.69 -49.62 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.364 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.74 -32.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.774 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.695 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 11.3 t70 -64.92 -54.5 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.471 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 85.6 t90 -54.76 -39.98 68.9 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.336 0.589 . . . . 0.0 110.112 175.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -57.93 -40.47 80.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.466 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 60' ' ' ASP . 5.0 t -80.35 -20.03 45.08 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.982 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 25.4 mmt180 -74.99 -44.27 49.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.512 . . . . 0.0 111.011 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.2 m-80 -104.77 -40.65 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.311 -172.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 41.5 mt-10 . . . . . 0 N--CA 1.474 0.735 0 C-N-CA 123.894 0.878 . . . . 0.0 112.196 170.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.6 tp-100 . . . . . 0 N--CA 1.456 -0.174 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 21.1 m-85 -79.19 -21.66 46.05 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.637 ' O ' ' HE1' ' A' ' 29' ' ' MET . 22.7 ttmm -57.77 -45.43 85.96 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 168.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -66.06 -45.4 87.62 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.265 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 29.3 mmmt -58.27 -52.39 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.411 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 84.9 t -56.92 -35.43 47.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.7 mtpt -75.9 -28.68 58.17 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.689 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.9 mt-10 -70.74 -38.69 73.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -55.63 -61.16 2.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.449 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.779 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.19 10.54 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 119.975 -1.107 . . . . 0.0 114.748 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 8.7 mttt -69.86 -34.76 74.02 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 117.634 0.717 . . . . 0.0 110.849 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 49.8 mt -59.7 141.62 54.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.905 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.602 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 28.0 p -117.15 -175.1 2.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.164 -169.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -56.04 -36.73 68.34 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.844 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.7 t70 -59.05 -42.23 89.79 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.602 ' HB3' ' O ' ' A' ' 25' ' ' THR . 2.6 t70 -58.02 -62.23 1.97 Allowed 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.577 1.179 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.637 ' HE1' ' O ' ' A' ' 14' ' ' LYS . 4.0 mtp -61.54 -34.74 76.06 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 112.512 -2.131 . . . . 0.0 110.344 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.3 m -67.06 -32.36 73.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.539 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.844 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.9 mt -86.17 -35.11 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.757 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -77.83 -66.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.636 -174.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 64.83 -59.24 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.287 0.635 . . . . 0.0 112.534 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.03 43.17 0.11 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 121.104 -0.569 . . . . 0.0 111.779 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -122.68 128.8 51.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.728 HH21 ' HG2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -58.25 -51.23 70.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.43 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.562 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 11.8 t70 -63.16 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 -172.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 11.7 mm-40 -68.83 -45.41 71.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.492 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.68 -34.58 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.221 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG21 ' HE ' ' A' ' 36' ' ' ARG . 76.3 t -57.06 -46.92 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.25 -53.86 39.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.489 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 29.8 mmtt -67.08 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -175.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.589 HG22 ' HD2' ' A' ' 49' ' ' TYR . 67.4 mt -56.0 -38.47 53.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.044 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.4 mt-30 -63.96 -44.04 93.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.029 0.443 . . . . 0.0 110.26 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.68 -53.85 40.89 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.806 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.3 tpt180 -76.49 -43.57 39.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.782 -168.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.886 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 12.3 m-85 -95.75 -23.69 16.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.71 -170.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.53 25.4 25.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.541 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.589 ' HD2' HG22 ' A' ' 43' ' ' ILE . 26.8 m-85 -85.8 163.87 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -90.0 161.63 15.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.183 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 21.0 ttpp -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.596 0.56 . . . . 0.0 111.006 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.73 -53.68 53.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.05 -43.25 88.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.429 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.02 -46.05 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.327 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HG2' HH21 ' A' ' 36' ' ' ARG . 45.0 mt-10 -55.31 -48.69 73.74 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.22 -35.49 81.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.556 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.49 -37.51 65.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.281 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' ALA . 88.1 t -65.82 -46.3 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.111 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 55' ' ' GLU . 94.0 t -59.4 -36.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.425 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.2 t70 -63.27 -49.8 72.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.24 176.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -55.35 -45.77 76.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.735 0.779 . . . . 0.0 110.159 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -65.13 -37.32 87.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.612 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 t -81.31 -14.91 56.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.425 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 52.5 mtt180 -89.19 -42.17 11.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 0.0 111.099 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 34.4 m-80 -92.95 -47.6 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.254 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.473 0.68 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.334 169.096 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 . . . . . 0 C--O 1.233 0.193 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 49.6 m-85 -84.73 -11.33 56.04 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.409 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' O ' ' HE1' ' A' ' 29' ' ' MET . 42.5 mtpt -60.08 -41.95 93.53 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 166.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -70.12 -47.36 45.85 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.927 175.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.1 mptp? -63.29 -46.76 85.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 24' ' ' LEU . 91.3 t -64.2 -34.57 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' CE ' ' A' ' 29' ' ' MET . 11.5 mmmm -72.08 -28.97 63.66 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.032 -0.417 . . . . 0.0 111.072 176.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 51.7 mt-10 -65.24 -47.0 78.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.495 0.664 . . . . 0.0 109.324 170.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.615 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 33.1 tp60 -50.85 -60.74 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.792 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.825 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -122.95 -55.8 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.06 -28.29 6.76 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.234 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 7.3 mmtt -70.6 -6.86 39.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.247 0.546 . . . . 0.0 110.445 176.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.809 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 4.9 mt -74.27 -178.46 3.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.688 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 p -149.8 155.46 40.13 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.835 -0.166 . . . . 0.0 110.9 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.71 -35.37 30.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . 8.9 t70 -58.29 -39.67 79.91 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.117 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.809 ' OD2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.41 -47.85 69.05 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -178.001 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.63 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 2.8 mtp -69.15 -29.1 67.05 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.158 -164.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.1 t -68.69 -25.05 64.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.375 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -91.19 -38.81 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 176.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -81.74 -17.09 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -169.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -31.92 -48.44 0.16 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.25 45.32 1.03 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.418 175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 75.4 mmtt -131.75 96.5 3.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.7 -50.7 54.43 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.981 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.65 -40.62 79.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.625 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 26.3 mm-40 -69.36 -36.76 77.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.883 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 24' ' ' LEU . 44.1 tp -64.17 -39.04 93.16 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.788 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -55.29 -51.62 54.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.363 175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.659 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 46.2 mmtt -69.6 -41.28 75.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 49' ' ' TYR . 89.8 mt -61.75 -40.11 85.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.596 175.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.7 mt-30 -63.9 -27.13 68.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.299 0.571 . . . . 0.0 110.319 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.38 -54.34 5.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.017 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.9 mmp_? -65.72 -58.08 6.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.704 -173.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.6 m-85 -80.33 -46.4 16.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.081 0.467 . . . . 0.0 111.013 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.43 46.09 1.73 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.699 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 43' ' ' ILE . 25.3 m-85 -91.16 169.79 10.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.982 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -85.32 155.35 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.178 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.21 -32.19 66.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.55 -56.12 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.428 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -69.24 -44.64 71.57 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.666 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.89 -46.52 81.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 mt-10 -65.09 -39.93 93.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.91 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.98 -40.78 90.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.7 t -63.56 -44.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.974 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 71.9 t -60.83 -39.54 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 122.487 0.315 . . . . 0.0 111.229 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 25.9 t70 -64.47 -54.0 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 91.3 t90 -56.42 -38.48 71.63 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 110.147 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 12.2 tt0 -52.2 -55.66 19.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.389 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.3 m -65.08 -29.7 70.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 30.0 mmt180 -64.71 -44.66 89.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.212 0.53 . . . . 0.0 110.71 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.512 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.1 m-80 -105.77 -49.52 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.273 -171.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.8 mm-40 . . . . . 0 N--CA 1.475 0.789 0 C-N-CA 123.953 0.901 . . . . 0.0 112.193 174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.467 0.651 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.9 t80 -81.11 -44.26 18.2 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.557 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 39.4 ttpt -49.52 -49.69 44.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.189 176.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -63.99 -30.4 77.63 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.822 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HB3' ' HZ2' ' A' ' 61' ' ' TRP . 46.1 tttt -80.95 -28.87 35.52 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.658 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' CE3' ' A' ' 21' ' ' TRP . 47.8 t -68.17 -31.1 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.41 173.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.7 mtpt -73.59 -23.91 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 54.1 mt-10 -71.26 -47.22 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.883 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -63.04 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 17' ' ' VAL . 32.5 m-90 -83.76 -74.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.933 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.61 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 85.95 -21.93 13.8 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.936 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 9.6 mmtt -70.0 -21.36 63.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.112 0.482 . . . . 0.0 110.459 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.07 138.93 32.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.3 p -104.53 -176.49 3.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.364 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -42.01 82.98 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.719 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.2 t70 -51.74 -54.37 29.2 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.421 0.45 . . . . 0.0 110.668 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 32' ' ' ILE . 10.7 m-20 -59.61 -49.36 78.05 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.24 -175.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.559 ' SD ' ' HG3' ' A' ' 14' ' ' LYS . 62.7 mtt -72.36 -19.35 61.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.978 -173.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.8 m -77.3 -26.88 52.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.178 0.514 . . . . 0.0 109.78 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.719 HG13 ' O ' ' A' ' 27' ' ' ASP . 3.7 mt -78.0 -26.94 14.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.351 0.596 . . . . 0.0 109.429 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.17 -51.46 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.13 -175.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 3.7 tm-20 68.87 -58.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.86 0.725 . . . . 0.0 111.716 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.89 22.62 0.03 OUTLIER Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 59.5 mttp -88.65 127.59 35.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 0.0 110.419 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -65.2 -44.18 89.17 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.01 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.96 -43.29 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.168 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 5.4 mm-40 -60.8 -40.31 92.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.836 -177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.523 HD21 ' CH2' ' A' ' 21' ' ' TRP . 52.0 tp -63.37 -43.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.28 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 74.6 t -54.97 -46.14 76.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 110.187 177.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -59.08 -49.91 73.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.125 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' OE2' ' A' ' 45' ' ' GLU . 33.2 mmtt -62.52 -39.27 93.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 39' ' ' LEU . 88.4 mt -56.83 -47.46 82.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 110.332 174.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -67.72 -19.51 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.222 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 42' ' ' LYS . 41.8 mt-10 -90.9 -55.39 3.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.951 0.405 . . . . 0.0 111.581 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.81 -36.69 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.196 -170.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 88.0 m-85 -91.38 -46.53 7.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.488 0.661 . . . . 0.0 110.427 174.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.66 32.72 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.112 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -79.0 171.43 15.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.462 0.648 . . . . 0.0 112.287 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -82.45 152.84 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.62 -34.94 71.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.337 0.589 . . . . 0.0 109.969 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.01 -56.34 20.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.84 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.21 -35.92 71.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.42 -47.48 81.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.255 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mt-10 -70.61 -34.48 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.308 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.13 -42.05 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.85 -34.6 78.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.878 0.37 . . . . 0.0 110.161 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 54' ' ' ALA . 54.8 t -61.0 -54.35 36.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 55' ' ' GLU . 88.3 t -56.08 -44.6 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.74 -61.6 2.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.526 0.679 . . . . 0.0 110.653 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.649 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.9 t90 -71.76 -24.28 61.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.76 -57.38 11.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.002 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.535 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 3.0 t -66.13 -19.32 65.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -174.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' A' ' 61' ' ' TRP . 84.4 mtt180 -60.44 -42.36 95.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 40.3 m-80 -103.19 -59.45 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.448 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.535 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 65.0 mm-40 . . . . . 0 N--CA 1.475 0.795 0 C-N-CA 124.063 0.945 . . . . 0.0 111.48 173.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 31.1 m-85 -82.43 -9.6 59.37 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 120.896 0.379 . . . . 0.0 111.486 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HA ' ' HB3' ' A' ' 29' ' ' MET . 40.1 mtmt -60.8 -41.75 96.24 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 165.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.62 -41.62 34.9 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.187 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 9.0 mptt -63.93 -47.78 79.17 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.693 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 25.8 t -66.44 -30.56 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.39 176.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 11.2 tmtt? -68.49 -32.79 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.918 0.39 . . . . 0.0 110.115 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 39.5 mt-10 -68.52 -29.43 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.382 0.611 . . . . 0.0 110.046 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 38.1 tp60 -70.63 -59.62 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.132 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -129.69 100.77 5.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.23 -179.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.25 -6.98 59.22 Favored Glycine 0 CA--C 1.517 0.174 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.752 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 tmtt? -70.96 -28.56 64.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.013 0.435 . . . . 0.0 110.185 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' SD ' ' A' ' 29' ' ' MET . 68.6 mt -72.42 145.16 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.026 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' MET . 40.3 p -122.71 -178.92 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -176.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -53.09 -44.35 67.49 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.71 ' O ' HG13 ' A' ' 31' ' ' ILE . 19.1 t70 -54.78 -50.98 67.17 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 14.7 m-20 -59.7 -54.32 47.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.096 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.693 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 31.3 mmm -56.93 -39.94 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.29 -174.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.2 m -68.0 -28.17 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.501 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -83.94 -30.77 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.103 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.644 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 51.7 mt -74.78 -68.31 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.03 -177.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 4.8 pt-20 47.37 -60.2 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.779 1.632 . . . . 0.0 114.638 -174.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -152.71 17.12 0.74 Allowed Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -88.81 118.34 28.43 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.674 -177.263 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.7 tmt_? -63.74 -47.39 81.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.487 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.84 -34.06 77.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.376 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.548 ' HB3' HG12 ' A' ' 32' ' ' ILE . 33.2 mm-40 -64.34 -52.4 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.771 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 43' ' ' ILE . 35.5 tp -62.19 -39.39 92.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.646 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.632 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 70.6 t -53.36 -55.07 14.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.97 -41.91 98.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.267 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 43.2 mmtt -59.85 -45.35 92.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.5 mt -59.28 -44.63 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.919 0.39 . . . . 0.0 110.711 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 21.1 mt-30 -61.87 -26.43 68.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.637 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 53.8 mt-10 -96.26 -54.0 3.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.55 -44.14 97.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.707 -173.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 94.7 m-85 -89.56 -43.32 10.87 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.575 0.702 . . . . 0.0 109.965 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 99.45 47.93 1.75 Allowed Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.651 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HD2' HG22 ' A' ' 43' ' ' ILE . 22.7 m-85 -97.74 167.48 10.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.072 0.463 . . . . 0.0 111.104 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -82.77 156.76 23.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.898 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' OE1' ' A' ' 44' ' ' GLN . 18.4 ttpp -56.89 -36.19 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.324 0.39 . . . . 0.0 110.304 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.22 -55.47 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.149 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 51.6 tt0 -67.6 -41.69 83.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.405 -177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.67 -47.03 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.168 -177.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.4 mt-10 -61.95 -37.64 85.47 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.085 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.77 -43.34 94.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.794 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 75.6 mt-10 -73.22 -31.24 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.279 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.2 t -65.85 -44.98 92.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 55' ' ' GLU . 74.6 t -56.78 -41.62 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.184 0.302 . . . . 0.0 111.28 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.53 -48.44 81.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.412 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.86 -42.93 98.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.528 0.68 . . . . 0.0 110.11 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.96 -50.39 74.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.379 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 59' ' ' VAL . 12.2 t -79.97 -14.55 58.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -84.28 -43.25 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.17 -59.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.471 0.611 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.626 174.302 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.456 0.17 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.3 m-85 -73.65 -36.79 65.43 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.98 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 54.7 mtpt -55.13 -42.18 72.66 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.691 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.02 -40.35 57.01 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.223 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 20.5 tptm -65.79 -42.95 90.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.059 0.456 . . . . 0.0 111.333 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.667 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 47.3 t -72.56 -25.84 23.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 42.7 mtpt -75.18 -18.78 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.368 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.28 -34.13 55.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.579 0.704 . . . . 0.0 109.186 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -70.76 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.774 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.5 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.4 m95 -127.8 96.66 4.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.846 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.34 -5.88 60.41 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.341 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.6 mmtt -75.39 -30.15 60.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.691 -0.3 . . . . 0.0 111.149 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 46' ' ' ARG . 57.9 mt -70.96 137.93 49.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.836 -176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -105.36 -170.55 1.76 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.753 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.76 -44.95 84.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.6 t70 -65.83 -38.28 88.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.312 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 46.5 m-20 -59.8 -54.46 45.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.067 0.461 . . . . 0.0 109.901 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.98 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 4.7 ttm -66.07 -33.12 75.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.08 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.1 m -54.87 -37.48 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.925 0.393 . . . . 0.0 110.655 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.5 mt -79.34 -24.83 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.111 0.482 . . . . 0.0 110.181 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.613 HD13 ' HG ' ' A' ' 39' ' ' LEU . 68.3 mt -80.61 -19.7 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -28.08 -58.66 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.659 1.184 . . . . 0.0 113.49 -177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' HD3' ' A' ' 35' ' ' LYS . . . -123.15 20.21 7.59 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.388 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.0 mmtp -122.66 101.67 7.61 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.882 0.849 . . . . 0.0 111.721 -176.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -43.08 89.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.346 176.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.77 -33.46 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.752 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 6.3 mm-40 -64.9 -42.05 95.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.544 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 ' HG ' HD13 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -63.39 -40.71 97.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.718 177.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.7 t -55.44 -50.15 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.974 0.416 . . . . 0.0 110.049 175.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' HE21 ' A' ' 44' ' ' GLN . . . -60.81 -44.11 98.41 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.591 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 60.4 mmtt -63.6 -42.41 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.1 mt -58.05 -45.74 88.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.166 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.5 mt-30 -61.73 -39.88 93.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.223 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.3 -39.22 15.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.89 -46.42 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.932 -173.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.0 m-85 -93.3 -46.04 7.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.392 0.615 . . . . 0.0 110.964 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.08 63.88 0.59 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.011 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 43' ' ' ILE . 29.4 m-85 -120.0 162.22 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 0.0 110.745 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -79.51 155.88 28.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.65 -33.69 70.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.89 -54.16 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.92 178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -72.22 -34.08 68.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.206 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.75 -46.76 88.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.1 mt-10 -64.6 -37.16 86.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.0 -44.39 97.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.99 -34.94 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ALA . 74.3 t -63.34 -46.08 96.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.62 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.5 t -61.11 -38.39 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.556 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.0 -51.74 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.213 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' CE2' HG22 ' A' ' 17' ' ' VAL . 76.5 t90 -64.18 -39.46 94.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.483 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -55.23 -52.34 63.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.55 -177.07 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.597 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 14.2 t -70.65 -23.0 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.535 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -64.03 -43.29 96.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.749 0.309 . . . . 0.0 111.684 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.9 m-80 -103.84 -61.89 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.688 -171.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 54.5 mm-40 . . . . . 0 N--CA 1.477 0.897 0 O-C-N 124.25 0.969 . . . . 0.0 111.813 171.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.932 0.396 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 55.9 m-85 -81.64 -11.42 59.1 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 29' ' ' MET . 53.3 mtpt -63.31 -35.2 79.58 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.54 -45.66 28.28 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.479 173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 6.1 mptt -62.86 -44.46 96.05 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 95.5 t -62.74 -35.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.294 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -74.06 -26.81 60.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.745 -0.597 . . . . 0.0 111.41 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -70.07 -39.77 75.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 109.443 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 37.1 tp60 -59.12 -61.91 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.005 175.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 2.7 m95 -114.94 -70.29 0.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.27 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 -25.04 23.51 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.3 tmtt? -71.08 -8.71 55.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.415 0.626 . . . . 0.0 110.036 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 42' ' ' LYS . 89.9 mt -86.61 169.19 12.96 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.478 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 12.4 p -131.52 -173.49 3.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.037 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.4 t70 -64.2 -34.77 78.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 111.5 -176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.567 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.1 p30 -65.78 -19.86 66.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.89 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 13.0 t70 -71.48 -63.54 1.1 Allowed 'General case' 0 CA--C 1.492 -1.283 0 CA-C-O 122.339 1.066 . . . . 0.0 108.821 171.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.566 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -61.16 -37.24 82.18 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.572 -164.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.5 m -67.36 -36.22 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.721 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 4.0 mt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 111.167 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 38' ' ' GLN . 1.7 mp -90.6 -20.17 6.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -171.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.25 -45.11 1.33 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 14.52 6.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.578 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.721 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 7.2 mptt -121.63 113.95 20.47 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.654 0.74 . . . . 0.0 111.566 -177.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -64.02 -43.67 94.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.28 -41.86 80.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HB3' HD12 ' A' ' 32' ' ' ILE . 79.8 mm-40 -63.29 -46.39 86.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.857 -177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.647 HD23 HG13 ' A' ' 58' ' ' VAL . 37.4 tp -61.41 -34.39 75.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 81.6 t -55.33 -49.23 74.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.32 176.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.31 -48.4 83.83 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.635 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 69.8 mmtt -59.77 -47.1 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' HD2' ' A' ' 49' ' ' TYR . 68.1 mt -58.04 -40.95 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 50.0 mt-30 -63.76 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 58.8 mt-10 -89.67 -46.67 8.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.656 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -72.06 -45.92 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 96.3 m-85 -92.84 -43.85 8.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.0 110.42 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.96 60.71 0.87 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.756 -174.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' HD2' HG22 ' A' ' 43' ' ' ILE . 32.1 m-85 -109.76 159.76 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -70.22 146.95 50.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.355 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 59.2 tttm -52.54 -38.45 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.348 0.405 . . . . 0.0 111.117 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.67 -52.81 62.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.022 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.47 -41.87 79.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.653 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.4 -46.16 83.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.072 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 45.0 mt-10 -59.38 -43.48 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 110.479 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.97 -39.76 93.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.318 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -72.54 -31.42 65.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.116 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 54' ' ' ALA . 48.9 t -66.23 -49.89 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 174.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.05 -37.17 71.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.096 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.38 -47.05 85.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.321 0.581 . . . . 0.0 109.77 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 20' ' ' GLN . 86.0 t90 -58.56 -43.3 89.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.024 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.17 -37.47 85.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.039 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.9 t -79.27 -19.78 49.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.76 0.314 . . . . 0.0 111.109 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -87.48 -42.71 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.453 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.2 m-80 -92.81 -34.53 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.671 -177.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 . . . . . 0 N--CA 1.47 0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.692 166.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 120.608 0.242 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 46.5 m-85 -81.47 -13.18 58.47 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.746 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.742 ' HE2' ' HB3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -58.73 -47.88 83.07 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.611 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.23 -44.24 76.51 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.312 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.5 mptp? -60.36 -50.72 72.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 13' ' ' PHE . 40.4 t -61.74 -34.71 63.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.771 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -69.43 -23.18 63.65 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 41.2 mt-10 -69.77 -41.8 74.66 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -66.97 -53.23 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.631 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.852 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -138.37 108.39 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.14 -176.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 41.53 2.43 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.034 -0.603 . . . . 0.0 114.481 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 7.1 mttp -116.95 -29.6 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.283 0.541 . . . . 0.0 110.683 172.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 28' ' ' ASP . 76.2 mt -63.27 124.97 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -106.11 -167.46 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.585 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.09 -45.17 64.73 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.753 0.421 . . . . 0.0 111.959 -174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.773 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.5 t70 -58.65 -55.92 28.91 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.066 0.46 . . . . 0.0 110.13 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.911 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.5 m-20 -59.01 -50.02 75.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.611 -173.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.742 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 1.9 mmt -60.42 -37.81 82.06 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.919 -174.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -77.2 -33.27 56.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.606 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.773 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.6 mt -69.02 -33.47 59.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.041 0.448 . . . . 0.0 110.581 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -84.48 -69.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.7 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 69.0 -59.84 0.47 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.311 1.007 . . . . 0.0 111.836 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.22 2.95 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 81.0 mttt -71.71 120.82 17.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.279 0.562 . . . . 0.0 110.363 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -67.69 -37.29 82.1 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.065 -175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.8 -40.6 97.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.094 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.2 mm-40 -70.5 -35.86 73.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.023 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -66.25 -41.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.652 177.163 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 78.2 t -54.95 -49.94 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 120.98 0.419 . . . . 0.0 109.974 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -59.29 -52.75 51.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.263 178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 32.0 mmtt -60.1 -39.1 85.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 39' ' ' LEU . 61.3 mt -62.48 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.491 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.3 mt-30 -62.27 -42.04 98.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 64.4 mm-40 -78.65 -54.4 6.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.722 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 1.2 tpt180 -69.03 -44.11 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.414 0.626 . . . . 0.0 111.034 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 17.3 m-85 -94.75 -29.71 14.63 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.191 -171.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.64 55.43 2.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.052 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' HD2' HG22 ' A' ' 43' ' ' ILE . 36.3 m-85 -116.94 162.09 18.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.832 0.348 . . . . 0.0 110.674 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.17 156.32 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.605 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -51.21 -39.6 56.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.628 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 24.3 t70 -56.33 -60.68 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.288 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 51.3 tt0 -66.43 -35.74 81.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.838 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.86 -46.9 82.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.266 -177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.6 mt-10 -67.56 -29.06 68.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.964 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 97.4 mttt -58.84 -51.69 68.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 110.42 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.73 -36.92 84.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ALA . 77.9 t -65.17 -48.96 81.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.319 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLU . 68.8 t -56.95 -39.5 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.91 -53.39 47.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.572 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 63.2 t90 -58.41 -42.39 87.1 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.352 0.596 . . . . 0.0 109.78 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 25.0 tt0 -50.88 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.828 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.6 m -69.13 -25.46 64.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.101 -173.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -74.68 -42.56 58.23 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.624 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.909 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 169.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -69.83 159.37 33.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.26 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 23.4 tptm -64.38 123.83 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.777 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -69.41 165.05 21.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -72.29 145.34 47.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.044 -174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.05 39.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.651 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.18 123.74 4.91 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.147 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.17 -68.98 2.88 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.859 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' GLN . 4.4 p-10 -65.6 -22.82 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.57 0.7 . . . . 0.0 110.484 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.425 ' CZ2' ' HB3' ' A' ' 29' ' ' MET . 9.9 t-105 -66.46 -35.88 81.37 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.599 177.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -62.04 -28.28 69.48 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 50.3 tt0 -67.87 -50.72 54.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.844 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.602 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 62.1 m-85 -77.32 -30.08 53.9 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -55.57 -45.43 77.33 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.562 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -73.48 -40.07 48.62 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.177 177.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 28.2 tptt -59.25 -53.04 62.82 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' CE3' ' A' ' 21' ' ' TRP . 58.2 t -61.67 -38.91 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.309 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 56.4 mtpt -70.63 -12.54 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.4 mt-10 -87.97 -47.51 8.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.177 0.513 . . . . 0.0 110.35 172.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.564 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.0 tp60 -70.25 -49.48 49.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.092 -178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.752 ' CH2' HD21 ' A' ' 39' ' ' LEU . 9.5 m-90 -94.82 -75.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 174.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.14 -27.52 18.86 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.656 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 mmtt -69.96 -27.54 64.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.071 0.462 . . . . 0.0 110.268 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.0 mt -74.05 137.37 43.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.123 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' MET . 54.5 p -98.51 174.31 6.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.24 -30.84 68.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.422 -176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.0 t70 -70.06 -42.53 72.72 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.642 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.697 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 24.6 m-20 -60.06 -44.71 94.51 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.793 0.806 . . . . 0.0 109.114 177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 29' ' ' MET . 1.3 mmt -53.95 -53.1 57.42 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 113.85 -1.523 . . . . 0.0 111.342 -178.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 27' ' ' ASP . 14.8 t -63.84 -25.14 68.03 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -173.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.4 mt -75.83 -29.14 19.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.653 177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' HA ' ' HB3' ' A' ' 38' ' ' GLN . 56.3 mt -79.27 -69.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 65.44 -60.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.126 0.891 . . . . 0.0 112.598 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 68' ' ' ARG . . . -162.94 12.9 0.1 Allowed Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.5 mptt -89.66 121.83 32.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.205 0.526 . . . . 0.0 110.451 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -61.48 -43.97 97.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.956 175.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -62.17 -44.57 96.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.196 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 1.5 mm-40 -61.91 -40.95 97.23 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.752 HD21 ' CH2' ' A' ' 21' ' ' TRP . 22.2 tp -63.34 -40.29 96.88 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.177 177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.1 t -56.31 -47.57 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.073 175.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.53 -45.01 96.74 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.211 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 31.7 mmtt -62.56 -40.92 98.38 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 94.4 mt -59.32 -41.03 82.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.168 0.509 . . . . 0.0 110.012 175.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 44.2 mt-30 -74.05 -16.22 61.05 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.382 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -92.63 -54.44 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.901 0.381 . . . . 0.0 111.225 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -45.76 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.157 -172.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.2 m-85 -87.53 -45.62 10.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.459 0.647 . . . . 0.0 109.902 176.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.67 30.3 7.29 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.275 -174.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.433 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.8 m-85 -74.81 170.92 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.366 0.603 . . . . 0.0 111.466 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -89.01 164.81 14.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.422 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -57.6 -40.08 78.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.841 0.353 . . . . 0.0 110.702 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.54 -52.78 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.839 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 7.8 tp60 -70.19 -38.42 75.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.77 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.88 -48.38 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.389 -176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 15.2 mt-10 -73.08 -25.7 60.99 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.061 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -59.42 -46.47 88.62 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.251 0.548 . . . . 0.0 109.814 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -73.1 -36.92 66.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.728 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 54' ' ' ALA . 53.5 t -60.75 -52.46 61.34 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 85.4 t -60.07 -42.58 90.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.708 0.289 . . . . 0.0 110.924 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.559 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.0 t70 -59.05 -56.36 23.17 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.847 178.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.3 t90 -63.14 -36.13 82.59 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' OE1' ' HD3' ' A' ' 68' ' ' ARG . 3.9 tp10 -54.44 -58.65 6.64 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.679 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.3 m -61.5 -26.02 67.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.957 -176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 48.5 mtt180 -65.75 -39.58 91.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.242 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -103.57 -66.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.287 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 78.04 -1.8 2.52 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.942 0.897 . . . . 0.0 112.203 174.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 37.2 t80 -83.4 71.26 10.28 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 175.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 1.4 tpt180 -109.52 -22.87 11.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.441 -173.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.5 p90 . . . . . 0 C--O 1.242 0.661 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.67 -177.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -61.07 134.6 57.23 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HG2' ' OXT' ' A' ' 69' ' ' TRP . 7.6 tmtm? -79.68 131.77 36.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.873 -176.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.65 119.03 8.46 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.281 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -66.52 141.2 57.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.842 -169.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.2 125.87 30.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.046 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.84 -61.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.778 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.9 -21.7 25.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.728 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . 24.9 p-10 -79.64 -11.41 59.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.801 -0.199 . . . . 0.0 111.077 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -61.0 -52.12 66.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 111.038 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -82.19 -39.09 23.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.186 0.517 . . . . 0.0 110.125 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' ASN . 64.7 tt0 -61.65 -49.12 77.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.838 -174.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 65' ' ' ASN . 3.2 m-85 -82.69 -17.1 45.67 Favored 'General case' 0 CA--C 1.498 -1.028 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -173.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 1.002 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 47.3 mtmt -65.39 -41.07 94.1 Favored 'General case' 0 C--N 1.305 -1.342 0 C-N-CA 119.169 -1.012 . . . . 0.0 109.239 173.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.16 -36.73 34.3 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.671 173.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 19' ' ' GLU . 20.8 tptt -65.5 -47.55 75.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.932 0.396 . . . . 0.0 111.035 -177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 21' ' ' TRP . 88.9 t -64.16 -30.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.544 175.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.0 mttm -67.37 -22.66 65.56 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 120.466 -0.493 . . . . 0.0 111.881 173.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 16' ' ' LYS . 45.6 mt-10 -74.04 -42.44 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.176 0.513 . . . . 0.0 110.45 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 8.8 tp60 -78.97 -51.0 10.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -178.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.751 ' CZ3' HD21 ' A' ' 39' ' ' LEU . 6.8 m-90 -102.27 -76.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.696 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 97.62 -32.52 6.7 Favored Glycine 0 CA--C 1.509 -0.301 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.587 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.2 tmtt? -69.75 -14.58 62.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.988 0.423 . . . . 0.0 110.493 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.674 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 38.3 mt -78.04 174.64 10.9 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.645 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.4 p -141.56 -172.54 3.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.197 0.523 . . . . 0.0 111.489 -167.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -75.52 -34.53 60.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.633 ' O ' HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -56.67 -55.18 37.32 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.339 176.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.674 ' OD1' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.7 -41.63 78.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-O 121.101 0.477 . . . . 0.0 110.489 -172.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.002 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 15.4 ttm -79.21 -15.26 58.32 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.536 -167.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.6 t -76.72 -25.16 53.23 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -84.37 -42.63 17.03 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 CA-C-O 121.077 0.465 . . . . 0.0 109.913 175.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.63 HD11 ' HG2' ' A' ' 42' ' ' LYS . 1.3 mp -71.72 -70.39 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.364 -177.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 66.83 -58.32 0.39 Allowed 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.843 0.714 . . . . 0.0 112.3 172.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.9 52.05 0.15 Allowed Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -126.91 128.07 45.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.04 0.448 . . . . 0.0 110.109 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -64.29 -52.4 58.74 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.964 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -63.81 -40.49 96.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.622 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.471 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 56.6 mm-40 -62.9 -46.39 88.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.047 -176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.751 HD21 ' CZ3' ' A' ' 21' ' ' TRP . 15.9 tp -63.22 -41.54 99.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.729 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.7 t -52.02 -45.13 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.077 0.465 . . . . 0.0 110.296 175.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.51 -46.9 93.5 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.478 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HG2' HD11 ' A' ' 32' ' ' ILE . 50.7 mmtt -66.95 -39.45 87.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 39' ' ' LEU . 29.4 mt -54.61 -45.54 72.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-O 121.001 0.429 . . . . 0.0 110.337 173.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 43.4 mt-30 -70.61 -22.44 62.54 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.295 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -86.15 -54.17 4.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.086 0.47 . . . . 0.0 111.286 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -73.54 -40.73 63.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.064 -170.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 92.4 m-85 -92.64 -43.87 8.87 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.869 0.843 . . . . 0.0 110.1 175.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 97.05 36.31 5.01 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.169 -171.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 16.3 m-85 -79.41 176.7 9.45 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.934 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -91.2 153.33 20.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.535 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -55.45 -33.17 63.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 0.0 110.272 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.68 -53.98 51.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.056 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.09 -37.87 75.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.407 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.96 -47.16 83.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.111 -177.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.48 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.4 mt-10 -67.2 -39.18 86.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.94 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -59.71 -44.49 93.68 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.757 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -71.52 -34.82 70.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.202 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 54' ' ' ALA . 42.2 t -60.66 -53.05 54.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.104 -0.238 . . . . 0.0 110.65 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' HA ' ' HG2' ' A' ' 62' ' ' GLU . 59.8 t -58.3 -38.03 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 121.256 0.55 . . . . 0.0 110.881 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 27.7 t70 -67.81 -50.75 55.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.254 0.549 . . . . 0.0 110.743 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.54 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 79.1 t90 -62.48 -43.8 97.93 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.559 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.506 ' HG2' ' HA ' ' A' ' 59' ' ' VAL . 7.6 pt-20 -63.77 -38.27 90.46 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.047 -175.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 55.8 m -67.24 -31.39 71.71 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 31.9 mtt180 -67.66 -42.9 81.47 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.079 0.466 . . . . 0.0 111.226 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.582 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 47.1 m-80 -100.31 -50.96 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.089 -169.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 6.9 mm-40 83.85 -1.71 1.08 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.97 0.908 . . . . 0.0 112.62 172.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.498 ' HD2' ' CZ ' ' A' ' 13' ' ' PHE . 7.9 m-85 -84.15 74.76 10.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.604 0.716 . . . . 0.0 109.453 168.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' HE ' ' HB3' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -133.33 -25.97 1.7 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.587 -177.683 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.516 ' OXT' ' HG2' ' A' ' 3' ' ' LYS . 61.0 p-90 . . . . . 0 C--O 1.245 0.834 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.578 0.228 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.94 133.27 47.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.519 ' HB2' ' CE3' ' A' ' 10' ' ' TRP . 20.1 pttm -66.96 131.1 45.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.04 0.448 . . . . 0.0 111.339 -174.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -112.94 116.58 30.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.758 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.916 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 1.2 tt0 -63.64 159.54 18.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' HB2' ' OE1' ' A' ' 5' ' ' GLU . . . 79.15 13.75 1.15 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 114.67 -1.15 . . . . 0.0 113.279 166.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.538 ' H ' ' HD1' ' A' ' 10' ' ' TRP . . . -145.45 62.81 0.47 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.085 175.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.44 -138.73 8.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.8 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.675 ' ND2' ' HE1' ' A' ' 67' ' ' TYR . 3.6 p-10 -65.27 -36.53 84.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.454 0.645 . . . . 0.0 110.761 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.741 ' HB2' ' HA ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -59.12 -34.33 71.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.645 175.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 52.3 tttp -66.74 -27.0 67.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.287 177.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -74.8 -35.21 62.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 82.1 m-85 -77.71 -24.01 49.31 Favored 'General case' 0 CA--C 1.507 -0.697 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.011 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 22.6 ttmm -53.12 -46.68 68.84 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 166.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.66 -53.19 21.42 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.148 -0.933 . . . . 0.0 112.373 177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.2 mptp? -55.71 -50.08 71.29 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.145 0.472 . . . . 0.0 112.138 -176.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.553 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 74.4 t -57.4 -40.58 75.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.264 175.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -72.41 -13.44 61.46 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 42.5 mt-10 -90.61 -37.93 13.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.191 0.52 . . . . 0.0 110.04 175.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.636 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 3.9 tp60 -80.28 -37.54 32.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.273 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.794 ' CH2' HD21 ' A' ' 39' ' ' LEU . 10.7 m-90 -105.57 -60.77 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.027 176.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.58 -27.67 4.15 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 119.986 -1.102 . . . . 0.0 113.453 175.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -69.72 -21.65 63.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.142 0.496 . . . . 0.0 110.208 175.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 42' ' ' LYS . 55.1 mt -88.23 137.94 31.88 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.809 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.697 ' O ' ' HG2' ' A' ' 29' ' ' MET . 73.1 p -113.42 174.24 6.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.921 -174.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.97 -36.46 65.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -55.24 -51.35 66.88 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 174.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.665 ' O ' HG13 ' A' ' 32' ' ' ILE . 9.4 m-20 -60.58 -47.5 85.94 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.707 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' A' ' 25' ' ' THR . 38.0 mmm -60.0 -36.68 77.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.803 -176.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.3 m -59.61 -31.11 69.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.316 0.579 . . . . 0.0 110.361 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' GLN . 0.3 OUTLIER -89.16 -20.52 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.427 179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.665 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.4 mt -86.87 -68.8 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.821 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.916 ' HA ' ' HG3' ' A' ' 5' ' ' GLU . 17.0 tt0 63.82 -60.57 0.18 Allowed 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 178.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -179.76 35.39 0.07 OUTLIER Glycine 0 N--CA 1.437 -1.263 0 N-CA-C 110.036 -1.226 . . . . 0.0 110.036 -176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.962 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 66.6 mmtt -97.82 118.46 34.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.34 -38.87 85.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.387 0.613 . . . . 0.0 109.905 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.666 ' O ' HG12 ' A' ' 40' ' ' VAL . 25.2 t70 -72.18 -36.57 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.228 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.962 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 25.5 mm-40 -61.39 -47.92 83.6 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.639 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.794 HD21 ' CH2' ' A' ' 21' ' ' TRP . 32.6 tp -64.72 -41.82 95.69 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.676 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -59.75 -40.13 81.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.202 0.525 . . . . 0.0 110.24 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -74.93 -40.61 35.24 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.638 178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.729 ' HB3' HD21 ' A' ' 24' ' ' LEU . 28.2 mmtt -64.59 -37.36 87.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 39' ' ' LEU . 92.0 mt -58.4 -49.49 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.907 0.384 . . . . 0.0 110.028 172.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.23 -28.85 68.34 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.271 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 48.8 mt-10 -80.06 -50.81 9.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.291 -177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.661 ' HG3' HD23 ' A' ' 24' ' ' LEU . 20.5 mmt180 -73.48 -44.05 58.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -172.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -90.99 -44.43 9.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.296 0.569 . . . . 0.0 110.617 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.77 57.57 1.03 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.975 -174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.463 ' HD2' HG22 ' A' ' 43' ' ' ILE . 13.9 m-85 -108.95 179.56 4.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.405 0.621 . . . . 0.0 111.52 -175.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -91.45 155.39 18.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.85 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -60.22 -25.72 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.046 0.45 . . . . 0.0 110.082 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.634 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 32.7 t70 -56.48 -60.71 3.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.041 176.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -39.42 93.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.769 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.54 -46.96 87.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.234 -176.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.536 ' HG2' HG21 ' A' ' 40' ' ' VAL . 28.5 mt-10 -64.2 -38.17 90.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.946 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 50.7 mtpt -59.75 -42.62 93.61 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.956 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -73.53 -40.11 64.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.241 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 ' HG ' ' A' ' 39' ' ' LEU . 67.8 t -60.51 -54.8 30.16 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.175 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.93 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.38 -37.55 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-O 120.77 0.319 . . . . 0.0 110.671 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.589 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 13.9 t70 -58.85 -56.18 25.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.406 178.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.517 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 90.6 t90 -65.5 -40.64 93.26 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -57.19 -42.95 82.18 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.896 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.6 m -73.92 -22.98 59.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.456 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.8 mtt180 -70.0 -42.54 72.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 111.131 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -96.97 -48.32 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.147 0.499 . . . . 0.0 110.226 -176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 78.29 -44.44 0.39 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 114.656 -1.157 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.675 ' HE1' ' ND2' ' A' ' 9' ' ' ASN . 36.8 t80 -70.53 105.82 3.23 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -127.97 16.97 6.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.203 0.525 . . . . 0.0 109.938 -176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.8 m-90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.161 -177.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.873 0.368 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -81.9 124.62 29.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.899 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HE2' ' HB2' ' A' ' 69' ' ' TRP . 14.6 ptmm? -81.99 131.86 35.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.01 0.433 . . . . 0.0 110.129 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -79.05 117.77 20.41 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.663 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -96.74 136.74 36.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.159 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.855 ' HA ' ' HB2' ' A' ' 10' ' ' TRP . . . 66.75 144.98 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 123.919 0.762 . . . . 0.0 111.306 -175.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.85 81.38 1.08 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.081 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.2 -68.11 1.96 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.343 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' HB3' ' HE2' ' A' ' 67' ' ' TYR . 4.8 p-10 -64.87 -36.35 84.07 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.982 0.42 . . . . 0.0 109.888 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.855 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 26.7 t90 -57.89 -50.12 74.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.401 176.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -66.07 -42.13 89.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.577 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -68.73 -46.8 67.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.691 0.282 . . . . 0.0 111.614 -176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CE1' ' HD2' ' A' ' 67' ' ' TYR . 76.6 m-85 -80.72 -11.85 59.56 Favored 'General case' 0 CA--C 1.504 -0.824 0 C-N-CA 120.917 -0.313 . . . . 0.0 111.829 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.693 ' HG2' ' HB3' ' A' ' 29' ' ' MET . 36.6 mtmt -60.0 -44.84 94.28 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 166.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.81 -44.16 39.33 Favored Glycine 0 N--CA 1.446 -0.671 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.042 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HG3' ' HE1' ' A' ' 61' ' ' TRP . 53.0 tptt -59.75 -50.12 75.08 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.164 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.722 HG13 ' CE3' ' A' ' 21' ' ' TRP . 77.9 t -61.98 -37.12 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.653 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.1 mtpt -71.34 -14.97 62.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -84.93 -41.51 15.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.029 0.443 . . . . 0.0 110.459 174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG3' ' CE3' ' A' ' 21' ' ' TRP . 4.2 tp60 -76.77 -43.84 35.35 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.331 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CH2' HD21 ' A' ' 39' ' ' LEU . 18.6 m-90 -102.46 -75.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.34 -23.3 34.24 Favored Glycine 0 CA--C 1.51 -0.262 0 C-N-CA 120.332 -0.937 . . . . 0.0 113.111 175.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 1.6 tmtm? -70.58 -24.59 62.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.163 0.506 . . . . 0.0 110.058 178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 46' ' ' ARG . 77.1 mt -80.75 136.63 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.46 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -108.44 -175.52 2.8 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.986 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.03 -40.52 85.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.331 -173.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.783 ' O ' HG13 ' A' ' 31' ' ' ILE . 16.7 t70 -55.75 -50.81 69.4 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.3 175.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 32' ' ' ILE . 12.3 m-20 -60.08 -49.18 78.66 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.468 0.652 . . . . 0.0 109.927 -178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.693 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 1.4 mmt -61.93 -36.54 81.67 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.858 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.85 ' HA ' ' HE1' ' A' ' 10' ' ' TRP . 6.1 t -72.6 -24.11 61.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.857 -0.156 . . . . 0.0 111.111 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.783 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.3 mt -79.23 -34.14 16.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 CA-C-O 121.212 0.53 . . . . 0.0 110.127 177.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.603 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 29.5 mt -81.86 -65.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.491 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER 58.25 -52.01 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.25 1.42 . . . . 0.0 112.174 -171.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -170.82 20.82 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 84.1 mttt -79.6 130.43 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.061 0.457 . . . . 0.0 110.722 177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -63.04 -59.63 4.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.818 179.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.76 -35.64 66.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.621 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.736 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.7 mm-40 -68.85 -42.04 77.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.54 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.808 HD21 ' CH2' ' A' ' 21' ' ' TRP . 19.9 tp -69.13 -44.42 72.39 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.098 177.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.734 HG22 HG21 ' A' ' 58' ' ' VAL . 93.4 t -55.33 -51.26 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.506 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.9 -50.22 67.7 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.19 176.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HG3' HD11 ' A' ' 32' ' ' ILE . 34.5 mmtt -59.26 -41.97 90.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 39' ' ' LEU . 98.2 mt -56.81 -48.87 80.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 110.705 174.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -61.75 -34.44 75.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.267 -177.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 57.8 mt-10 -86.72 -49.1 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.876 -174.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.557 ' HG2' HD23 ' A' ' 24' ' ' LEU . 1.1 tpt85 -66.37 -47.6 72.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.678 0.275 . . . . 0.0 111.385 -173.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.9 m-85 -82.39 -45.57 14.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.53 0.681 . . . . 0.0 110.467 178.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.45 35.96 3.2 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 110.838 -172.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.18 172.58 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.277 0.56 . . . . 0.0 111.485 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -94.56 160.77 14.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.525 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -58.33 -32.34 68.41 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.101 0.476 . . . . 0.0 110.703 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -57.02 -54.96 40.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.435 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.6 -33.99 73.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.555 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.02 -47.19 75.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.273 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.92 -28.0 67.11 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.179 -178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -59.52 -49.33 78.19 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.93 0.395 . . . . 0.0 110.05 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.94 -41.39 97.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.576 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.734 HG21 HG22 ' A' ' 40' ' ' VAL . 78.4 t -60.8 -60.24 2.94 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.379 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.5 t -56.03 -39.62 59.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 123.187 0.305 . . . . 0.0 111.806 -173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.745 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 12.4 t70 -64.6 -59.44 4.29 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.306 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.518 ' CD1' ' HG2' ' A' ' 20' ' ' GLN . 89.7 t90 -58.34 -37.65 75.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.33 0.586 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -59.69 -46.74 88.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.078 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.0 t -74.74 -18.57 60.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.918 0.389 . . . . 0.0 110.96 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 34.3 mmt180 -70.66 -42.63 70.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.309 0.576 . . . . 0.0 110.38 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -102.93 -61.87 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.048 -171.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 71.7 -17.93 0.32 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.682 0.793 . . . . 0.0 112.716 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.533 ' HE2' ' HB3' ' A' ' 9' ' ' ASN . 49.8 t80 -75.21 69.7 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.751 0.786 . . . . 0.0 108.918 175.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.689 ' HG2' HH11 ' A' ' 68' ' ' ARG . 26.5 ttp85 -147.36 -19.44 0.38 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.746 -1.115 . . . . 0.0 109.972 -176.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.426 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 9.4 m-90 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 117.896 -1.05 . . . . 0.0 110.624 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 121.127 0.489 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -87.2 147.95 25.37 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.339 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -70.7 151.01 45.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.233 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -80.56 166.46 21.12 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -52.25 143.5 14.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.145 0.497 . . . . 0.0 112.114 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.618 ' O ' ' HB3' ' A' ' 10' ' ' TRP . . . -74.74 5.77 4.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.03 -178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.9 25.04 6.17 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.555 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.28 -62.56 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.543 ' OD1' ' HA ' ' A' ' 6' ' ' ALA . 12.3 p30 -65.73 -37.54 86.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.618 ' HB3' ' O ' ' A' ' 6' ' ' ALA . 23.1 t90 -62.89 -35.03 78.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 110.966 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -81.37 -44.61 17.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.96 0.41 . . . . 0.0 110.448 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.89 -50.54 68.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.523 -177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 91.6 m-85 -83.25 -9.25 59.23 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.586 -174.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -58.22 -48.15 81.27 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 167.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.505 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.15 -48.12 16.17 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.428 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.4 mptp? -60.9 -43.46 98.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 61.6 t -70.52 -30.35 42.32 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.416 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.464 ' HG3' ' HE2' ' A' ' 29' ' ' MET . 52.4 mtpt -71.54 -20.95 61.97 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.462 175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -72.79 -46.74 51.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.006 0.432 . . . . 0.0 110.28 176.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.52 -42.31 29.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.893 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 12.8 m-90 -120.25 87.74 2.8 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.7 30.77 2.52 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.838 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 3.2 tttt -117.42 -21.69 8.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.584 -0.363 . . . . 0.0 111.111 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 46' ' ' ARG . 69.8 mt -70.38 137.94 50.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.596 -176.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.3 p -94.66 171.74 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -58.04 -39.1 77.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.726 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -61.01 -47.46 86.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.597 176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.606 ' O ' HG13 ' A' ' 32' ' ' ILE . 73.5 m-20 -58.76 -48.83 79.88 Favored 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.098 0.475 . . . . 0.0 110.018 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.479 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 23.3 mmt -57.13 -40.72 77.68 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.581 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.6 m -69.6 -25.71 64.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.77 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.726 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.9 mt -81.56 -24.41 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.442 . . . . 0.0 110.051 177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.64 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.175 -177.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 15.1 tt0 67.48 -59.91 0.39 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.06 0.85 . . . . 0.0 111.648 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA2' ' HD2' ' A' ' 68' ' ' ARG . . . -179.97 21.52 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 62.1 mttp -88.56 132.52 34.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.976 0.417 . . . . 0.0 110.135 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -48.98 72.63 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.831 -172.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.46 -33.71 76.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.126 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.555 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 19.7 mm-40 -62.13 -45.48 93.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.276 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -66.15 -46.41 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.894 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.0 t -54.87 -46.43 75.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.864 0.364 . . . . 0.0 110.376 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.98 -48.33 86.61 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.025 176.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HG3' HD11 ' A' ' 32' ' ' ILE . 45.2 mmtt -59.59 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG13 ' O ' ' A' ' 39' ' ' LEU . 75.5 mt -56.11 -48.26 79.33 Favored 'Isoleucine or valine' 0 C--O 1.243 0.738 0 CA-C-O 121.131 0.491 . . . . 0.0 110.535 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.2 mt-30 -64.71 -26.96 68.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.348 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -101.4 -41.98 6.45 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.661 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -67.77 -49.92 59.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.903 0.382 . . . . 0.0 110.747 -176.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 84.3 m-85 -87.28 -45.3 10.74 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 121.753 0.787 . . . . 0.0 109.922 174.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 105.9 26.2 6.18 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.251 -173.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.499 ' CD1' ' HG2' ' A' ' 53' ' ' GLN . 30.0 m-85 -74.15 159.71 32.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 111.0 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -76.27 163.03 27.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.308 171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 23.1 ttpp -66.25 -24.91 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -56.66 -60.37 3.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.182 173.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' HG2' ' CD1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -63.31 -41.7 98.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.635 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.87 -48.48 79.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.599 -176.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 33.6 mt-10 -71.74 -33.96 69.12 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.145 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.66 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 110.792 177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.3 -32.0 71.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 54' ' ' ALA . 41.2 t -63.8 -47.84 89.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.979 177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 93.9 t -60.1 -42.24 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 111.323 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.8 t70 -62.74 -54.36 40.36 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.131 0.491 . . . . 0.0 110.663 178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.58 -36.38 73.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.716 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 9.2 tp10 -49.12 -65.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.07 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.402 ' HA ' ' OE1' ' A' ' 66' ' ' GLU . 31.7 m -64.53 -23.22 67.2 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.03 -175.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 94.2 mtt-85 -68.88 -39.89 79.54 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.5 m-80 -102.2 -57.19 2.11 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.876 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.8 mm-40 78.9 -46.16 0.39 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 124.241 0.963 . . . . 0.0 111.068 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 68' ' ' ARG . 3.5 t80 -54.62 108.87 0.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.458 175.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 67' ' ' TYR . 28.3 ttp-105 172.94 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 7.8 m95 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.431 -1.258 . . . . 0.0 110.853 176.767 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 69' ' ' TRP . 26.7 ptm . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -98.85 124.09 43.53 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.572 ' HB2' ' OXT' ' A' ' 69' ' ' TRP . 4.2 ttmp? -69.13 127.38 32.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.337 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -86.95 165.83 15.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.586 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -61.37 138.06 58.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.984 0.421 . . . . 0.0 112.059 -172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.43 117.64 10.45 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.713 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.16 108.09 0.21 Allowed Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.68 -56.36 4.14 Favored Glycine 0 N--CA 1.45 -0.413 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -172.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -64.84 -32.5 74.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.335 0.588 . . . . 0.0 110.054 174.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.745 ' HZ2' ' HA ' ' A' ' 30' ' ' THR . 23.1 t90 -67.2 -46.64 73.3 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.618 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -67.09 -34.82 78.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.703 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -67.56 -44.47 78.16 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.325 0.583 . . . . 0.0 109.777 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' O ' HG23 ' A' ' 17' ' ' VAL . 7.1 t80 -74.48 -39.4 62.49 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.255 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.765 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 50.5 mtmt -54.37 -42.78 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.718 0.294 . . . . 0.0 110.748 174.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.55 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -61.52 -37.96 95.02 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.157 -1.021 . . . . 0.0 111.495 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.662 ' HG3' ' HZ2' ' A' ' 61' ' ' TRP . 50.5 tptt -66.18 -42.14 89.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.746 0.308 . . . . 0.0 110.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.764 HG22 ' CH2' ' A' ' 61' ' ' TRP . 12.8 t -66.79 -34.82 72.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.922 0.392 . . . . 0.0 110.3 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -71.58 -21.4 61.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.671 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.4 mt-10 -71.54 -35.92 70.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.751 172.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -72.33 -60.19 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.921 176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 3.6 m95 -122.46 98.18 5.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.829 -178.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.47 5.44 28.92 Favored Glycine 0 CA--C 1.519 0.31 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.066 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.4 tmtp? -90.81 -19.39 23.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.7 0.286 . . . . 0.0 110.614 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD23 ' HG2' ' A' ' 46' ' ' ARG . 18.5 mt -75.46 149.45 38.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.456 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 34.1 p -108.6 -176.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 -176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.31 -44.08 59.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.761 ' O ' HG12 ' A' ' 31' ' ' ILE . 4.8 t70 -54.37 -40.55 68.26 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.394 0.616 . . . . 0.0 110.227 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.669 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 3.1 t70 -58.62 -54.38 47.75 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.176 -178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.765 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 12.8 ttm -84.36 -15.43 46.45 Favored 'General case' 0 N--CA 1.428 -1.545 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.433 -168.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.745 ' HA ' ' HZ2' ' A' ' 10' ' ' TRP . 53.1 m -70.74 -36.06 72.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.107 0.48 . . . . 0.0 109.76 169.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.761 HG12 ' O ' ' A' ' 27' ' ' ASP . 33.7 mm -71.82 -30.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.777 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.679 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 36.9 mt -76.69 -64.66 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.247 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 66.75 -58.31 0.39 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.634 0.773 . . . . 0.0 111.535 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' ARG . . . -174.13 30.03 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.749 178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 55.9 mmtt -96.55 128.65 43.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -63.73 -45.63 89.03 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.23 -37.98 82.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.577 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.779 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 29.5 mm-40 -65.52 -46.77 78.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.102 -176.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' O ' HG13 ' A' ' 43' ' ' ILE . 33.8 tp -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 119.96 -0.696 . . . . 0.0 110.339 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 89.2 t -52.02 -50.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.22 -48.07 85.34 Favored Glycine 0 CA--C 1.52 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.952 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 44.9 mmtt -58.75 -45.65 89.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.883 0.342 . . . . 0.0 111.572 -178.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.521 HG22 ' HD2' ' A' ' 49' ' ' TYR . 77.4 mt -55.77 -42.54 70.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 176.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 22.5 mt-30 -68.11 -24.8 65.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -84.19 -41.61 16.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.832 0.348 . . . . 0.0 111.626 -177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.656 HH21 ' HB2' ' A' ' 28' ' ' ASP . 2.8 mpt_? -80.55 -45.15 17.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.52 -169.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.5 m-85 -94.71 -34.38 12.58 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.34 0.59 . . . . 0.0 110.35 176.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 91.37 42.38 4.9 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.305 -175.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HD2' HG22 ' A' ' 43' ' ' ILE . 18.6 m-85 -82.99 161.93 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 111.143 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -73.98 147.18 43.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.383 171.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 24.0 ttpp -56.66 -32.53 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 110.04 179.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.21 -53.0 62.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.669 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -72.61 -34.58 67.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.595 -177.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.466 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -60.81 -46.98 88.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 43.4 mt-10 -61.58 -39.27 90.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -61.06 -54.3 46.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.75 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -65.86 -33.06 74.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.774 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 54' ' ' ALA . 52.5 t -64.53 -57.06 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.792 176.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.26 -41.26 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.817 0.342 . . . . 0.0 111.624 -175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 17.2 t70 -58.93 -64.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.276 0.56 . . . . 0.0 111.149 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.764 ' CH2' HG22 ' A' ' 17' ' ' VAL . 86.7 t90 -65.98 -33.23 75.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -176.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.57 -55.45 29.23 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.643 175.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.8 m -62.23 -26.41 68.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.322 -175.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 21.1 mmt180 -61.69 -42.68 99.26 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.848 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.1 m-80 -104.22 -45.09 4.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.046 -170.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 87.49 -2.52 0.57 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.669 0.788 . . . . 0.0 113.001 166.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.34 90.57 7.59 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.546 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 7.5 tmm_? -157.77 -39.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.572 ' OXT' ' HB2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.916 -176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 ttm . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.803 0.335 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -72.65 165.43 24.75 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 174.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 114.14 4.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 169.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . 5.7 t70 -93.27 166.05 12.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.634 -170.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.37 159.19 20.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.293 0.568 . . . . 0.0 111.457 -174.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.97 110.1 2.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.657 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.26 94.7 0.16 Allowed Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.803 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.18 3.81 88.64 Favored Glycine 0 C--N 1.33 0.232 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 12' ' ' GLN . 29.4 p-10 -102.11 2.64 37.71 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.999 -0.6 . . . . 0.0 110.641 -175.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.607 ' HA ' ' CE3' ' A' ' 10' ' ' TRP . 4.4 t-105 -59.78 -50.25 74.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.024 -171.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.31 -24.7 67.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.274 0.559 . . . . 0.0 110.26 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 59.5 tt0 -74.33 -50.33 19.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.162 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -84.79 -29.12 25.68 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.939 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 34.4 ttpt -57.29 -35.11 69.39 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 175.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.18 -49.66 38.58 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.548 173.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -64.16 -42.45 96.74 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.647 ' HB ' ' HE1' ' A' ' 29' ' ' MET . 99.3 t -59.74 -38.31 75.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.75 0.31 . . . . 0.0 110.552 174.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.487 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 58.5 mtpt -73.97 -13.52 60.89 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.642 0.258 . . . . 0.0 111.353 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 52.2 mt-10 -83.5 -37.5 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 174.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -59.19 2.88 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.521 ' CE3' HG13 ' A' ' 17' ' ' VAL . 20.9 m-90 -94.69 -76.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.223 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.83 -19.66 36.43 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.736 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.581 ' HD2' ' HG3' ' A' ' 46' ' ' ARG . 4.1 tmtp? -70.82 -20.78 62.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.405 0.621 . . . . 0.0 109.82 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD21 ' HB3' ' A' ' 42' ' ' LYS . 86.4 mt -81.09 146.81 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.046 179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 p -105.21 -173.12 2.23 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.65 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -61.31 -44.53 97.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.669 ' O ' HG13 ' A' ' 31' ' ' ILE . 21.7 t70 -66.11 -41.6 90.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.509 -177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.524 ' O ' HG13 ' A' ' 32' ' ' ILE . 19.9 m-20 -59.69 -52.43 65.52 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 121.476 0.655 . . . . 0.0 109.619 -176.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.939 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 7.7 ttm -67.33 -32.43 73.38 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.256 -0.883 . . . . 0.0 111.049 -175.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 10' ' ' TRP . 86.1 m -62.92 -31.02 72.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.927 0.394 . . . . 0.0 110.609 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.669 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.7 mt -74.38 -27.57 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -82.33 -77.31 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.644 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 38.5 tt0 66.08 -59.73 0.31 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.996 0.918 . . . . 0.0 112.032 178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.538 ' HA2' ' HG2' ' A' ' 68' ' ' ARG . . . -147.45 -7.68 0.25 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.332 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.751 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 33.1 mmtp -70.77 113.35 7.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.0 111.296 -175.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 3.1 tmt_? -51.91 -49.02 63.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.869 173.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -54.08 -48.74 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.238 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.751 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 34.3 mm-40 -62.59 -40.15 95.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.402 HD22 HG13 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -68.66 -36.58 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.107 179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -59.18 -47.73 89.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.8 -47.24 91.49 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.182 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.578 ' HB3' HD21 ' A' ' 24' ' ' LEU . 55.6 mmtt -62.84 -45.76 91.1 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 ' CZ2' ' A' ' 21' ' ' TRP . 96.3 mt -56.08 -48.2 79.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-O 120.924 0.392 . . . . 0.0 110.792 178.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 49.8 mt-30 -57.52 -45.94 84.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.48 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.92 -27.51 17.85 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -169.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HG3' ' HD2' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -76.38 -42.91 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.747 -178.132 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 71.4 m-85 -88.17 -46.41 9.3 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 121.522 0.677 . . . . 0.0 111.148 176.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.8 55.27 0.66 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.645 -1.161 . . . . 0.0 110.682 -170.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -112.68 169.74 8.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.181 0.515 . . . . 0.0 111.319 -176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -82.9 162.09 21.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.837 170.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 22.9 ttpp -59.98 -34.35 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.202 0.525 . . . . 0.0 110.057 176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.09 -53.85 53.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.41 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -62.34 -41.42 98.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.901 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -66.61 -47.75 71.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.058 -175.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 48.8 mt-10 -63.23 -41.43 99.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.011 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.92 -38.82 89.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.628 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -36.98 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.003 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ALA . 75.9 t -61.37 -48.22 89.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.461 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.4 t -60.57 -42.78 92.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.359 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 18.8 t70 -66.27 -49.98 65.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.764 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' HZ3' ' HD2' ' A' ' 68' ' ' ARG . 91.1 t90 -64.59 -34.64 78.72 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.499 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -55.07 -49.32 71.94 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.644 177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 60' ' ' ASP . 4.7 t -73.39 -19.6 60.95 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.451 -176.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 74.8 mtt180 -71.44 -44.53 64.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.916 0.388 . . . . 0.0 111.217 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -104.56 -56.26 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.222 -174.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 78.91 -44.11 0.35 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.524 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 4' ' ' ASP . 21.1 t80 -64.93 106.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.538 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 64.1 ttt180 -168.78 -75.92 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.108 -0.497 . . . . 0.0 109.74 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.424 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 13.4 t90 . . . . . 0 C--O 1.251 1.164 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.725 ' HB3' ' HB2' ' A' ' 69' ' ' TRP . 22.0 ttt . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -77.2 135.13 38.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.73 ' HA ' ' OXT' ' A' ' 69' ' ' TRP . 12.6 tptp -59.5 119.05 6.79 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.494 0.664 . . . . 0.0 111.978 -172.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -84.28 166.05 17.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.084 176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -96.69 131.24 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.517 173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -68.77 100.89 1.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.09 0.471 . . . . 0.0 111.641 -175.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 112.44 0.52 Allowed Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.73 -54.8 4.38 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.316 -174.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -67.13 -16.37 64.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.878 0.371 . . . . 0.0 110.13 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.741 ' HZ3' ' HG3' ' A' ' 33' ' ' GLU . 13.7 t-105 -56.87 -49.01 76.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.85 173.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -60.44 -39.03 86.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.198 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -79.45 -50.86 10.14 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.245 0.545 . . . . 0.0 110.647 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 68' ' ' ARG . 14.0 t80 -73.26 -35.93 66.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.566 -169.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.667 ' HG3' ' HB3' ' A' ' 29' ' ' MET . 38.8 ttpt -50.94 -38.17 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.45 0.643 . . . . 0.0 109.772 173.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -65.4 -40.7 96.53 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.688 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -65.68 -36.74 84.51 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.91 0.355 . . . . 0.0 111.512 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.62 HG22 ' CH2' ' A' ' 61' ' ' TRP . 4.1 t -68.74 -37.58 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.411 0.624 . . . . 0.0 109.463 178.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -73.21 -22.78 60.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.18 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 49.1 mt-10 -71.18 -36.31 71.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -77.8 -62.56 1.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.386 0.612 . . . . 0.0 109.591 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -106.16 89.5 3.08 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.602 -178.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.17 54.75 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 114.965 -1.016 . . . . 0.0 113.744 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 2.7 mttp -73.66 -25.95 60.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 117.249 0.524 . . . . 0.0 111.339 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' ' 42' ' ' LYS . 34.1 mt -71.51 122.19 20.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.458 -175.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' ' HG2' ' A' ' 29' ' ' MET . 61.3 p -97.11 176.9 5.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.064 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -59.96 -35.65 75.41 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -173.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.675 ' O ' HG13 ' A' ' 31' ' ' ILE . 12.0 t70 -59.7 -46.96 87.51 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.751 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 16.5 m-20 -59.88 -49.54 77.31 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.31 0.576 . . . . 0.0 109.716 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.667 ' HB3' ' HG3' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -56.46 -39.61 73.48 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.818 -177.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.611 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 56.9 m -68.86 -36.24 77.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.615 -177.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.675 HG13 ' O ' ' A' ' 27' ' ' ASP . 4.9 mt -72.26 -36.26 55.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.248 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 28' ' ' ASP . 51.3 mt -68.74 -59.85 3.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.741 ' HG3' ' HZ3' ' A' ' 10' ' ' TRP . 34.6 tt0 67.59 -58.51 0.43 Allowed 'General case' 0 CA--C 1.534 0.336 0 O-C-N 124.242 0.964 . . . . 0.0 111.835 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.78 31.16 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.034 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 34.3 mmtp -103.27 129.4 50.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.654 0.264 . . . . 0.0 110.901 -178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -65.97 -46.17 79.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.877 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -62.67 -40.16 96.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.98 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 1.034 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -61.04 -40.59 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.581 -177.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 43' ' ' ILE . 37.1 tp -66.26 -42.91 87.84 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.972 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 77.5 t -52.92 -47.23 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -57.17 -54.96 32.98 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.057 175.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 48.2 mmtt -59.3 -38.1 79.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.639 HG13 ' O ' ' A' ' 39' ' ' LEU . 79.7 mt -59.88 -47.41 91.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.521 177.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.573 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 21.1 mt-30 -75.91 -20.56 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.637 -176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 46.6 mt-10 -95.23 -39.42 10.09 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.438 -177.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -74.85 -51.53 13.71 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.652 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.8 m-85 -94.22 -45.14 7.65 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.363 0.602 . . . . 0.0 110.431 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.573 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.63 48.86 1.74 Allowed Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.856 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.475 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 42.5 m-85 -86.85 165.63 15.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.858 0.361 . . . . 0.0 110.827 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -79.12 155.2 28.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.543 174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -60.81 -29.15 69.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.034 0.445 . . . . 0.0 110.399 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.63 -53.39 58.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.741 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -73.92 -33.78 64.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.528 -176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.83 -47.4 84.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.374 178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -54.76 -55.39 30.58 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.835 0.35 . . . . 0.0 111.214 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.86 -40.38 88.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.88 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.574 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 33.9 mm-40 -66.7 -42.33 86.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.731 -0.213 . . . . 0.0 111.109 178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 54' ' ' ALA . 78.8 t -63.95 -57.8 10.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.02 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.41 -43.69 78.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 30.5 t70 -63.55 -57.41 10.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.929 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.62 ' CH2' HG22 ' A' ' 17' ' ' VAL . 91.3 t90 -63.33 -39.83 95.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 -177.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -47.89 -61.04 2.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.059 177.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.54 -16.09 62.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.682 -173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 86.6 mtt-85 -72.66 -30.64 64.45 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.966 -0.294 . . . . 0.0 111.158 175.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 31.4 m-80 -102.52 -58.74 1.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.297 -174.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 7.0 mm-40 80.36 -31.46 0.12 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.301 0.64 . . . . 0.0 112.501 171.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -78.24 69.24 4.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.479 0.657 . . . . 0.0 110.269 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 47.3 ttp85 -148.95 -20.95 0.3 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.73 ' OXT' ' HA ' ' A' ' 3' ' ' LYS . 53.4 m95 . . . . . 0 C--O 1.244 0.768 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.658 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 ttp . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -77.37 123.34 26.39 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 170.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -72.73 131.87 42.91 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 111.342 -170.448 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.28 134.56 56.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.775 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -52.33 131.12 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.663 0.602 . . . . 0.0 111.838 -169.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.621 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -76.03 63.33 1.77 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.841 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.54 -77.44 0.87 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 171.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' HA2' ' HD3' ' A' ' 11' ' ' LYS . . . -72.64 -26.84 70.57 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 172.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . 55.0 t-20 -64.7 -38.2 90.19 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.621 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 34.2 t-105 -65.91 -42.53 90.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.211 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD3' ' HA2' ' A' ' 8' ' ' GLY . 45.6 mtpt -71.26 -46.1 61.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.073 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -66.42 -50.61 62.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.528 -169.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 68.4 m-85 -81.5 -22.88 37.71 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -172.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.827 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 22.2 ttmm -55.88 -43.0 76.78 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 171.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.17 -44.94 21.49 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.612 176.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 3.8 mptp? -61.09 -46.16 91.75 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.9 0.35 . . . . 0.0 111.897 -177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.524 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 84.4 t -62.59 -42.91 97.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.494 177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 16.8 mtpt -68.82 -12.69 61.8 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 46.0 mt-10 -76.58 -44.38 34.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.069 0.461 . . . . 0.0 110.203 173.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.31 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.816 ' HB3' ' OH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -119.99 98.59 6.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.744 -178.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.2 12.66 63.78 Favored Glycine 0 C--N 1.317 -0.511 0 N-CA-C 114.725 0.65 . . . . 0.0 114.725 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 1.8 tttt -87.09 -37.39 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.824 0.812 . . . . 0.0 110.247 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 47.6 mt -59.69 133.01 55.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.02 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.6 p -98.57 -177.1 3.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.81 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -58.8 -44.22 90.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.521 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.611 ' O ' HG13 ' A' ' 31' ' ' ILE . 15.7 t70 -54.99 -47.84 74.08 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.146 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.664 ' O ' HG13 ' A' ' 32' ' ' ILE . 21.5 m-20 -60.06 -53.61 55.72 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.494 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.827 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 2.9 mtm -73.11 -16.39 61.46 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.8 -175.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.501 HG23 ' HH2' ' A' ' 10' ' ' TRP . 62.5 m -66.54 -37.36 84.82 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 171.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.7 mt -78.03 -30.54 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.921 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.682 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 41.2 mt -76.78 -66.88 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.147 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 66.03 -58.25 0.34 Allowed 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.721 0.638 . . . . 0.0 111.156 -178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.39 29.81 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.682 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 21.8 mmtp -92.26 126.76 37.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.0 tmt_? -62.71 -43.19 99.45 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -60.27 -39.25 86.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.414 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.633 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 50.1 mm-40 -65.65 -49.95 66.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.054 -175.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 43' ' ' ILE . 36.7 tp -65.56 -38.97 91.1 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.672 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.628 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 68.5 t -55.45 -50.82 63.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.819 0.342 . . . . 0.0 110.154 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -65.13 -45.11 92.84 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.396 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HG3' HD11 ' A' ' 32' ' ' ILE . 42.5 mmtt -60.13 -45.42 93.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.8 mt -59.3 -41.88 85.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.954 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.628 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 72.8 mt-30 -61.74 -43.58 98.57 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.12 0.485 . . . . 0.0 111.044 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 44.8 mt-10 -80.3 -53.16 6.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.561 -172.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.54 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 3.8 tpt180 -66.67 -44.5 81.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 110.817 -173.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.816 ' OH ' ' HB3' ' A' ' 21' ' ' TRP . 25.4 m-85 -95.59 -16.48 22.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.338 -171.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.72 40.83 10.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.007 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 47' ' ' TYR . 4.2 m-85 -98.55 165.81 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.99 0.424 . . . . 0.0 110.526 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -97.87 161.73 13.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 51' ' ' LYS . 19.2 ttpp -52.95 -38.31 61.89 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.422 0.451 . . . . 0.0 110.755 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -55.5 -60.83 2.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.663 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 38.2 tt0 -71.41 -32.94 68.99 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.741 -174.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -64.43 -47.19 80.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.313 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 59' ' ' VAL . 46.3 mt-10 -65.34 -32.12 73.59 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.56 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.663 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 86.5 mttt -59.49 -47.65 84.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 174.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -65.41 -34.62 78.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.012 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 54' ' ' ALA . 85.8 t -66.38 -46.82 85.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 55' ' ' GLU . 70.6 t -62.54 -40.93 90.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-O 120.694 0.283 . . . . 0.0 111.601 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 13.9 t70 -66.38 -52.07 50.54 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.4 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 86.1 t90 -60.45 -38.97 85.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -49.94 -58.44 5.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.133 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.3 m -64.59 -23.16 67.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.73 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 29.4 mmt180 -63.41 -42.81 98.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.29 0.567 . . . . 0.0 110.141 176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -104.63 -71.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.86 -173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 73.31 -3.42 2.46 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.113 0.965 . . . . 0.0 111.828 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.56 ' HD2' ' CE2' ' A' ' 13' ' ' PHE . 65.7 t80 -87.32 80.77 8.09 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -154.68 -39.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 -170.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.626 -173.497 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.653 0.263 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -91.95 124.88 36.39 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 167.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.627 ' HA ' ' OXT' ' A' ' 69' ' ' TRP . 1.3 mtpm? -60.14 116.06 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.068 0.461 . . . . 0.0 111.214 -173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.506 ' HB3' ' HE1' ' A' ' 67' ' ' TYR . 3.2 t70 -62.8 143.19 57.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.337 178.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -79.5 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.971 0.415 . . . . 0.0 111.142 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 10' ' ' TRP . . . -88.21 75.89 8.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.135 0.493 . . . . 0.0 110.677 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.79 97.09 0.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.95 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.94 -53.46 4.24 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -65.7 -16.99 64.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.29 0.567 . . . . 0.0 110.033 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.688 ' CH2' ' HA ' ' A' ' 30' ' ' THR . 21.5 t-105 -57.58 -48.48 79.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.994 173.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HE2' ' HB3' ' A' ' 11' ' ' LYS . 36.0 ttpt -67.87 -32.38 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.273 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.41 -51.15 55.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.629 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 77.7 m-85 -85.35 -24.42 27.61 Favored 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.996 -174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' HG3' ' HG2' ' A' ' 29' ' ' MET . 34.7 ttpt -59.62 -38.76 82.17 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 170.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -72.02 -51.67 13.72 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.129 174.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 13.6 mptt -54.01 -52.46 60.71 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.644 ' HB ' ' HE3' ' A' ' 29' ' ' MET . 59.7 t -56.43 -43.68 78.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.033 177.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' TRP . 40.8 mtpt -72.83 -16.06 61.61 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 43.8 mt-10 -74.74 -29.84 61.3 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 173.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.24 -57.08 3.53 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.751 ' HZ2' ' HG3' ' A' ' 57' ' ' GLU . 0.9 OUTLIER -121.47 96.0 4.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.252 178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.11 -6.05 72.91 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 115.98 -0.554 . . . . 0.0 113.993 -176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 13.5 mmtt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.032 0.416 . . . . 0.0 111.741 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 46' ' ' ARG . 66.2 mt -62.38 150.89 38.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.072 0.463 . . . . 0.0 110.918 -178.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.8 p -121.06 -175.32 3.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.355 -172.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -69.37 -33.46 73.09 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.029 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -70.17 -37.97 75.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.734 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.682 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 28.2 m-20 -67.89 -51.3 49.63 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 122.031 0.92 . . . . 0.0 109.163 176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.644 ' HE3' ' HB ' ' A' ' 17' ' ' VAL . 58.2 tpp -60.66 -42.15 96.44 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 113.659 -1.61 . . . . 0.0 112.174 -171.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.688 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 12.7 t -62.85 -24.15 67.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.233 0.54 . . . . 0.0 110.855 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 mm -82.54 -30.59 9.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.213 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.582 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 19.6 mt -85.68 -71.9 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.437 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 1.9 pp20? 50.26 -57.89 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.311 1.445 . . . . 0.0 113.443 -166.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -157.86 62.73 0.32 Allowed Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.367 -0.92 . . . . 0.0 113.267 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.85 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 11.9 mptt -132.17 124.96 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.369 -0.489 . . . . 0.0 110.255 173.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.4 tmt_? -60.37 -39.67 88.08 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.63 -45.16 88.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.976 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.85 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 32.9 mm-40 -65.95 -41.98 90.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.006 -176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' O ' HG13 ' A' ' 43' ' ' ILE . 26.8 tp -66.76 -39.92 88.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.326 -0.55 . . . . 0.0 110.469 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.626 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 63.1 t -54.95 -50.61 60.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-O 120.889 0.376 . . . . 0.0 110.178 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.78 -48.61 85.37 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.118 178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 24.6 mmtt -59.77 -42.45 93.34 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -177.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 39' ' ' LEU . 66.7 mt -58.63 -40.47 79.28 Favored 'Isoleucine or valine' 0 C--O 1.241 0.658 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.798 177.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 65.7 mt-30 -66.81 -31.33 71.89 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -89.75 -36.74 15.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.498 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.575 ' HA ' ' NE ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -78.46 -57.27 3.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.864 -174.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.69 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.4 m-85 -84.34 -46.14 12.06 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 110.882 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 112.25 25.87 4.54 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.384 -0.826 . . . . 0.0 112.497 -177.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -77.12 171.49 14.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.322 0.582 . . . . 0.0 111.631 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -88.55 165.28 14.95 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.635 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 40.1 tttm -57.59 -42.71 83.74 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.367 0.417 . . . . 0.0 111.086 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.92 -52.96 63.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.0 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -64.31 -38.64 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.669 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.97 -47.07 81.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.843 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -57.6 -37.95 74.11 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.16 0.288 . . . . 0.0 111.087 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 9.7 mtpm? -58.1 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.371 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.751 ' HG3' ' HZ2' ' A' ' 21' ' ' TRP . 23.7 mm-40 -73.31 -27.6 61.62 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.312 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.559 HG22 ' HG ' ' A' ' 39' ' ' LEU . 73.0 t -68.49 -59.0 4.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.566 177.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.23 -33.65 51.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.3 t0 -62.29 -62.98 1.39 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.277 177.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.3 t90 -58.46 -41.48 85.28 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.591 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -53.43 -50.84 64.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.496 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -68.14 -28.07 66.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.985 0.421 . . . . 0.0 111.376 -177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 92.7 mtt180 -67.42 -42.45 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 111.231 -179.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 36.1 m-80 -102.72 -35.41 8.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.921 -172.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 10.2 mm-40 80.56 -1.37 1.9 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.564 0.746 . . . . 0.0 112.331 171.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.506 ' HE1' ' HB3' ' A' ' 4' ' ' ASP . 91.4 t80 -80.98 105.69 12.4 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.866 0.365 . . . . 0.0 110.21 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -139.11 -81.13 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.346 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.627 ' OXT' ' HA ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.506 -174.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.828 0.347 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -97.04 163.66 12.85 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.81 ' HE2' ' HA3' ' A' ' 34' ' ' GLY . 4.8 mtmp? -80.97 137.68 36.09 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.498 175.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -78.08 168.14 20.34 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.193 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.92 142.36 11.93 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.99 0.424 . . . . 0.0 111.119 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.64 91.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 0.0 111.707 -172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.33 136.79 4.45 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.94 -65.19 2.25 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.363 -0.922 . . . . 0.0 110.932 -171.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -64.65 -30.93 71.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.973 0.416 . . . . 0.0 109.917 175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.971 ' HH2' ' HA ' ' A' ' 30' ' ' THR . 76.9 t-105 -57.29 -47.34 81.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.309 176.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -70.28 -37.26 74.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.63 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.04 -50.47 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.581 -178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' HZ ' ' HB3' ' A' ' 67' ' ' TYR . 60.8 m-85 -82.6 -22.59 34.74 Favored 'General case' 0 CA--C 1.505 -0.783 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.998 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.16 -45.92 89.73 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.658 -0.817 . . . . 0.0 108.844 169.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.23 -33.85 52.87 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.436 177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 40.3 tptt -68.51 -49.55 58.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.923 0.392 . . . . 0.0 110.899 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.618 HG13 ' HE3' ' A' ' 21' ' ' TRP . 83.0 t -60.68 -34.42 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.133 175.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.528 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 93.8 mttt -75.74 -13.16 60.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.8 0.334 . . . . 0.0 111.497 176.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -87.54 -47.09 9.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.43 0.633 . . . . 0.0 109.864 175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 21' ' ' TRP . 4.0 tp60 -76.31 -37.61 57.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.355 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.618 ' HE3' HG13 ' A' ' 17' ' ' VAL . 9.9 m-90 -113.75 -74.62 0.62 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 80.34 -14.99 19.85 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.84 177.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.996 ' HG2' ' HB3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -72.85 -14.09 61.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.299 0.571 . . . . 0.0 109.639 174.478 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 42' ' ' LYS . 20.4 mt -89.17 151.81 21.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.921 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.623 ' O ' ' HG2' ' A' ' 29' ' ' MET . 41.6 p -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.925 -176.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -37.01 77.52 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -169.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' HG13 ' A' ' 31' ' ' ILE . 10.3 t70 -60.51 -41.57 94.63 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.252 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' ILE . 66.7 m-20 -61.94 -49.6 75.48 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 121.351 0.596 . . . . 0.0 109.549 -178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.623 ' HG2' ' O ' ' A' ' 25' ' ' THR . 29.8 mmm -55.41 -35.97 65.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.393 -177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.971 ' HA ' ' HH2' ' A' ' 10' ' ' TRP . 24.4 m -68.87 -29.27 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.168 -178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.603 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -85.93 -22.0 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.089 0.471 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.602 HG13 ' O ' ' A' ' 28' ' ' ASP . 57.5 mt -86.43 -62.33 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.451 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 65.58 -57.95 0.31 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.87 0.731 . . . . 0.0 111.206 -176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.81 ' HA3' ' HE2' ' A' ' 3' ' ' LYS . . . 179.22 18.89 0.03 OUTLIER Glycine 0 N--CA 1.44 -1.074 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -80.2 125.82 30.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.813 0.339 . . . . 0.0 110.124 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -59.64 -48.97 79.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.216 -176.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -68.67 -31.85 71.25 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -63.58 -46.46 85.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.661 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 0.5 OUTLIER -65.27 -39.36 92.52 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 72.4 t -54.17 -52.71 35.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 110.374 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.81 -44.44 95.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.229 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.848 ' HB3' HD21 ' A' ' 24' ' ' LEU . 52.1 mmtt -65.29 -38.58 90.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 ' CG2' ' HD2' ' A' ' 49' ' ' TYR . 90.8 mt -62.75 -38.16 80.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.93 0.395 . . . . 0.0 110.392 174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.2 mt-30 -68.75 -20.2 64.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.946 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 31.5 mt-10 -90.89 -49.75 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.285 0.564 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.996 ' HB3' ' HG2' ' A' ' 23' ' ' LYS . 15.7 mmt180 -71.78 -55.87 6.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.175 -172.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 95.9 m-85 -89.71 -45.46 9.3 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.364 0.602 . . . . 0.0 109.637 176.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.17 41.17 2.66 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.535 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.527 ' HD2' ' CG2' ' A' ' 43' ' ' ILE . 76.2 m-85 -85.63 161.13 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -72.84 153.99 40.81 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -51.9 -42.93 63.13 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.316 0.385 . . . . 0.0 111.683 -175.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.96 -48.37 75.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.398 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 53.7 tt0 -76.03 -32.65 59.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.373 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.18 -45.96 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.204 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HG2' HG21 ' A' ' 40' ' ' VAL . 49.9 mt-10 -59.93 -35.81 75.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.81 175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 53' ' ' GLN . 59.8 tttp -59.58 -43.61 93.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.924 0.392 . . . . 0.0 110.325 177.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HB3' ' HZ2' ' A' ' 21' ' ' TRP . 1.4 mm-40 -65.39 -43.04 91.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.779 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.54 HG11 ' HG2' ' A' ' 36' ' ' ARG . 86.9 t -62.38 -47.84 91.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.0 t -64.66 -35.74 75.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.073 0.463 . . . . 0.0 110.731 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -61.75 -53.95 49.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.807 177.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -61.47 -40.58 95.04 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.791 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 59' ' ' VAL . 9.1 tt0 -55.05 -52.11 64.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.256 178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 m -65.05 -29.67 70.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.0 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.27 -39.81 82.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.836 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.62 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.8 m-80 -98.76 -56.49 2.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.792 -0.185 . . . . 0.0 111.256 -174.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.62 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 42.3 mm-40 92.8 -25.53 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.508 1.13 . . . . 0.0 112.309 171.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.412 ' HB3' ' HZ ' ' A' ' 13' ' ' PHE . 67.0 t80 -79.87 91.85 5.43 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -152.78 151.36 30.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.587 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.503 ' H ' ' HE3' ' A' ' 3' ' ' LYS . 41.9 t90 . . . . . 0 C--O 1.247 0.968 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -82.46 166.14 19.61 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 69' ' ' TRP . 63.7 tttm -63.59 117.98 7.56 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.401 -0.519 . . . . 0.0 111.169 -177.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.29 143.94 56.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.975 175.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.62 158.32 17.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.82 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' HB1' ' HE3' ' A' ' 10' ' ' TRP . . . -48.33 96.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.893 0.746 . . . . 0.0 112.646 -175.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.1 116.63 0.39 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 -178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -60.75 2.68 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 -171.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -66.17 -22.03 66.34 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 173.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.525 ' HE3' ' HB1' ' A' ' 6' ' ' ALA . 14.9 t-105 -57.04 -50.09 73.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.318 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 11' ' ' LYS . 34.7 ttpt -81.4 -45.29 16.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.686 179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.83 -50.3 67.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.052 -172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' HE2' ' HB3' ' A' ' 65' ' ' ASN . 46.8 m-85 -87.32 -18.01 31.11 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -62.14 -33.0 73.66 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 170.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -75.53 -47.73 11.86 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.142 -0.935 . . . . 0.0 112.168 175.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -60.85 -43.75 97.92 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.828 0.347 . . . . 0.0 111.143 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.23 -46.59 81.43 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.414 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.354 173.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 59.7 mttm -64.87 -24.79 67.64 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 45.2 mt-10 -68.0 -29.89 69.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.04 0.448 . . . . 0.0 110.334 176.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -63.25 1.3 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.647 ' HA ' ' HE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -121.08 96.1 4.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.997 179.237 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . -76.43 -10.54 85.6 Favored Glycine 0 C--N 1.319 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 113.693 -175.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -70.37 -24.26 62.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.973 0.387 . . . . 0.0 110.982 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD22 ' OD2' ' A' ' 28' ' ' ASP . 14.5 mt -67.89 156.84 36.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.36 177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 57.5 p -127.33 -167.35 1.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.865 0.364 . . . . 0.0 111.744 -168.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.83 -42.12 41.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.429 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' O ' HG12 ' A' ' 31' ' ' ILE . 6.5 p-10 -68.14 -15.15 63.47 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 121.321 0.581 . . . . 0.0 110.229 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.823 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 11.1 t70 -75.08 -53.57 8.64 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-O 122.463 1.125 . . . . 0.0 109.078 173.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.7 tpp -75.2 -26.26 58.84 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 113.12 -1.855 . . . . 0.0 112.436 -168.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -69.19 -26.05 64.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.377 0.608 . . . . 0.0 110.033 175.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 27' ' ' ASP . 22.6 mm -83.67 -35.18 11.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.755 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.649 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 38.8 mt -90.06 -81.21 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.346 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER 54.2 -47.95 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 125.599 1.56 . . . . 0.0 113.896 -173.214 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -150.77 33.4 0.97 Allowed Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.706 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 67.5 mmtt -108.17 114.52 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.43 . . . . 0.0 110.456 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -65.42 -51.8 57.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.407 -177.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.89 -35.8 77.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.043 -176.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.706 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 13.2 mm-40 -64.45 -33.06 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.56 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HA ' HD13 ' A' ' 32' ' ' ILE . 46.1 tp -68.58 -40.44 80.51 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 120.198 -0.601 . . . . 0.0 109.809 176.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 87.6 t -54.16 -50.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.05 -49.63 73.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.79 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.823 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 40.7 mmtt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.956 0.378 . . . . 0.0 111.943 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.4 mt -58.78 -45.15 91.45 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 120.982 0.42 . . . . 0.0 110.661 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.537 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 25.3 mt-30 -63.06 -23.71 67.57 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 177.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -91.55 -47.04 7.63 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.388 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.576 HH21 ' HB2' ' A' ' 28' ' ' ASP . 1.1 mpt_? -73.75 -46.31 46.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.95 -174.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 97.8 m-85 -94.07 -35.71 12.44 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.493 0.663 . . . . 0.0 110.413 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 89.16 59.19 1.59 Allowed Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.239 -174.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.43 ' H ' ' HA ' ' A' ' 44' ' ' GLN . 15.4 m-85 -104.45 169.31 8.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.219 0.533 . . . . 0.0 111.104 -178.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -84.94 156.52 21.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.566 174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HE3' ' OE1' ' A' ' 55' ' ' GLU . 13.3 ttpt -60.85 -27.53 68.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.083 0.468 . . . . 0.0 110.074 -179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -56.0 -60.25 3.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.793 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.575 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 43.6 tt0 -68.83 -40.31 79.51 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.141 -178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.88 -47.32 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.841 -176.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' OE1' ' HE3' ' A' ' 51' ' ' LYS . 33.4 mt-10 -65.07 -42.05 94.53 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.66 179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -59.98 -41.5 92.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.995 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 53' ' ' GLN . 24.9 mm-40 -65.69 -40.92 92.81 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.933 0.397 . . . . 0.0 110.51 177.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 54' ' ' ALA . 72.8 t -63.23 -51.02 76.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.832 179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 55' ' ' GLU . 96.8 t -59.04 -39.22 77.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.622 0.249 . . . . 0.0 111.427 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 23.0 t70 -60.55 -57.7 11.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.97 -40.67 94.27 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.76 -50.06 74.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 22.5 m -67.87 -24.34 65.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 -178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.1 mtt-85 -69.57 -42.01 75.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.078 178.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 50.0 m-80 -102.24 -58.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.666 -173.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 75.13 -27.08 0.19 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.841 0.856 . . . . 0.0 112.53 176.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.93 94.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.234 0.54 . . . . 0.0 109.726 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 7.8 tmm_? -164.76 -55.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.9 -174.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.483 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 40.6 t-105 . . . . . 0 C--O 1.243 0.719 0 O-C-N 124.314 1.008 . . . . 0.0 111.274 177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mmt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.774 0.321 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -79.67 138.57 37.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.639 ' HE3' ' HA3' ' A' ' 34' ' ' GLY . 59.4 tttm -60.51 134.21 56.85 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.741 0.305 . . . . 0.0 110.66 -178.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -84.4 166.46 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.176 0.513 . . . . 0.0 110.788 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -78.55 123.97 27.65 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.369 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.84 101.7 5.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.918 0.39 . . . . 0.0 110.289 176.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.26 138.83 6.93 Favored Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.72 -37.42 2.29 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.806 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -94.46 3.47 55.11 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.967 0.507 . . . . 0.0 109.905 175.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.76 -52.82 63.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.623 -174.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -73.94 -24.95 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.453 0.644 . . . . 0.0 110.157 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -63.72 -43.39 96.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.409 -175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 23.5 m-85 -85.33 -29.58 24.38 Favored 'General case' 0 CA--C 1.494 -1.192 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 1.079 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 53.3 mtpt -59.23 -41.37 88.5 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -69.73 -35.94 74.44 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.965 173.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.61 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 8.1 tptp -66.29 -47.29 74.1 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.796 0.298 . . . . 0.0 111.639 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.678 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 16.7 t -67.44 -27.82 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.235 177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 60.6 mtpt -73.92 -25.83 60.19 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.341 176.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 48.3 mt-10 -66.95 -45.44 77.77 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 170.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 21.8 tp60 -57.71 -62.52 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.166 176.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.803 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -115.27 -69.91 0.83 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -178.15 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 88.24 -12.5 64.37 Favored Glycine 0 C--O 1.228 -0.276 0 C-N-CA 119.85 -1.167 . . . . 0.0 113.079 174.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.3 tmtp? -73.24 -13.69 61.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD23 ' HG2' ' A' ' 46' ' ' ARG . 71.7 mt -76.86 -178.22 4.76 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.579 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.459 ' N ' ' OD2' ' A' ' 28' ' ' ASP . 25.3 p -136.44 173.17 11.99 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.294 -170.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -60.21 -44.49 95.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.931 -177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -73.09 -41.57 63.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -174.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.591 ' O ' HG13 ' A' ' 32' ' ' ILE . 2.7 p30 -61.72 -43.34 99.04 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.112 -176.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 1.079 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 28.0 ttm -79.28 -18.15 53.26 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.737 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.8 m -60.14 -32.27 70.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.6 0.714 . . . . 0.0 109.355 167.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.5 mt -89.71 -31.03 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.334 179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 28' ' ' ASP . 64.3 mt -73.81 -15.67 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.73 -177.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -27.9 -59.06 0.11 Allowed 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.432 1.082 . . . . 0.0 112.953 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.639 ' HA3' ' HE3' ' A' ' 3' ' ' LYS . . . -127.04 21.03 5.88 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.324 178.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.7 mmtp -115.38 99.58 7.49 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.553 0.692 . . . . 0.0 111.382 -176.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -37.96 80.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.399 173.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -43.34 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.048 175.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.7 mm-40 -65.68 -47.87 74.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.987 -175.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.753 ' HG ' HG22 ' A' ' 58' ' ' VAL . 22.3 tp -60.84 -38.89 87.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 119.944 -0.702 . . . . 0.0 110.683 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 51.9 t -56.42 -53.03 45.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.438 176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.13 -41.49 99.72 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.228 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.564 ' HG3' HD11 ' A' ' 32' ' ' ILE . 52.7 mmtt -65.12 -41.3 94.99 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -175.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.645 HG22 ' HD2' ' A' ' 49' ' ' TYR . 82.1 mt -63.57 -39.17 84.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.019 176.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.525 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 49.8 mt-30 -64.82 -24.89 67.69 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.191 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 49.6 mt-10 -93.17 -45.28 7.94 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.516 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.61 -44.44 57.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -173.212 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 91.3 m-85 -93.88 -39.49 10.67 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.438 0.637 . . . . 0.0 110.106 175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 94.9 52.96 1.7 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.823 -176.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.645 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.4 m-85 -98.07 175.39 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 0.0 110.272 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -92.25 167.06 12.28 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 62.2 tttp -57.69 -40.31 79.19 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.344 0.403 . . . . 0.0 110.546 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -57.61 -52.25 66.17 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.9 -45.96 86.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.689 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -62.77 -46.93 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.886 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 50.5 mt-10 -60.03 -40.77 90.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.992 -178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -59.93 -45.65 91.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.975 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.02 -39.98 83.02 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.792 0.33 . . . . 0.0 110.998 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.753 HG22 ' HG ' ' A' ' 39' ' ' LEU . 98.9 t -62.69 -49.62 83.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.364 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.74 -32.01 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.774 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.695 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 11.3 t70 -64.92 -54.5 29.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.471 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 85.6 t90 -54.76 -39.98 68.9 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.336 0.589 . . . . 0.0 110.112 175.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.518 ' HB2' HH21 ' A' ' 68' ' ' ARG . 12.0 tt0 -57.93 -40.47 80.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.466 -177.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' O ' ' A' ' 60' ' ' ASP . 5.0 t -80.35 -20.03 45.08 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.982 -178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 25.4 mmt180 -74.99 -44.27 49.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.174 0.512 . . . . 0.0 111.011 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 26.2 m-80 -104.77 -40.65 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.311 -172.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 41.5 mt-10 85.23 -44.32 0.06 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.894 0.878 . . . . 0.0 112.196 170.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.661 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 43.0 t80 -73.78 102.95 4.16 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.245 0.545 . . . . 0.0 111.246 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HG2' ' HA2' ' A' ' 34' ' ' GLY . 46.5 ttm-85 -132.33 16.13 4.53 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 169.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.601 ' HA ' ' HG3' ' A' ' 3' ' ' LYS . 30.2 m-90 . . . . . 0 C--O 1.241 0.652 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.538 -176.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -73.32 132.56 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.063 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 68' ' ' ARG . 52.6 tttm -71.25 150.81 44.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.311 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -69.53 163.05 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -92.6 141.05 28.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.988 0.423 . . . . 0.0 111.102 -172.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 10' ' ' TRP . . . -92.73 118.77 31.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.597 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.92 -94.37 0.22 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.849 177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.82 -31.93 34.44 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -65.79 -20.05 66.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.354 0.597 . . . . 0.0 110.092 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.416 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 12.8 t-105 -67.17 -40.46 86.6 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.974 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -60.99 -30.89 70.55 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.807 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.6 tp-100 -62.36 -50.85 69.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.299 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 16' ' ' LYS . 21.1 m-85 -79.19 -21.66 46.05 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -175.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.637 ' O ' ' HE1' ' A' ' 29' ' ' MET . 22.7 ttmm -57.77 -45.43 85.96 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 168.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -66.06 -45.4 87.62 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.265 174.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 12' ' ' GLN . 29.3 mmmt -58.27 -52.39 65.78 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -177.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.411 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 84.9 t -56.92 -35.43 47.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 120.808 0.337 . . . . 0.0 111.085 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 45.7 mtpt -75.9 -28.68 58.17 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.689 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 44.9 mt-10 -70.74 -38.69 73.54 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 172.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -55.63 -61.16 2.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.449 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.779 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -125.19 -55.31 1.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.19 10.54 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 119.975 -1.107 . . . . 0.0 114.748 169.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.886 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 8.7 mttt -69.86 -34.76 74.02 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 117.634 0.717 . . . . 0.0 110.849 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 47' ' ' TYR . 49.8 mt -59.7 141.62 54.76 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.905 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.602 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 28.0 p -117.15 -175.1 2.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.164 -169.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -56.04 -36.73 68.34 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -172.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.844 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.7 t70 -59.05 -42.23 89.79 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.602 ' HB3' ' O ' ' A' ' 25' ' ' THR . 2.6 t70 -58.02 -62.23 1.97 Allowed 'General case' 0 CA--C 1.492 -1.279 0 CA-C-O 122.577 1.179 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.637 ' HE1' ' O ' ' A' ' 14' ' ' LYS . 4.0 mtp -61.54 -34.74 76.06 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-N 112.512 -2.131 . . . . 0.0 110.344 -167.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 73.3 m -67.06 -32.36 73.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.539 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.844 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.9 mt -86.17 -35.11 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.676 -0.409 . . . . 0.0 110.757 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -77.83 -66.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.636 -174.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HA ' ' CZ3' ' A' ' 10' ' ' TRP . 6.1 tm-20 64.83 -59.24 0.24 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.287 0.635 . . . . 0.0 112.534 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.03 43.17 0.11 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 121.104 -0.569 . . . . 0.0 111.779 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -122.68 128.8 51.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.728 HH21 ' HG2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -58.25 -51.23 70.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.43 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.562 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 11.8 t70 -63.16 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.945 -172.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' OE1' ' HA ' ' A' ' 38' ' ' GLN . 11.7 mm-40 -68.83 -45.41 71.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.492 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 tp -64.68 -34.58 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.221 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG21 ' HE ' ' A' ' 36' ' ' ARG . 76.3 t -57.06 -46.92 84.39 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.25 -53.86 39.83 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.489 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 29.8 mmtt -67.08 -44.5 79.88 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -175.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.589 HG22 ' HD2' ' A' ' 49' ' ' TYR . 67.4 mt -56.0 -38.47 53.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.044 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 48.4 mt-30 -63.96 -44.04 93.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.029 0.443 . . . . 0.0 110.26 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -64.68 -53.85 40.89 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.806 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 13.3 tpt180 -76.49 -43.57 39.08 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.782 -168.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.886 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 12.3 m-85 -95.75 -23.69 16.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.71 -170.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.53 25.4 25.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.541 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.589 ' HD2' HG22 ' A' ' 43' ' ' ILE . 26.8 m-85 -85.8 163.87 17.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.892 0.377 . . . . 0.0 110.702 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -90.0 161.63 15.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.183 173.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 21.0 ttpp -54.57 -42.5 71.1 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.596 0.56 . . . . 0.0 111.006 -177.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -55.73 -53.68 53.65 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.97 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -66.05 -43.25 88.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.429 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -58.02 -46.05 85.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.327 -179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.728 ' HG2' HH21 ' A' ' 36' ' ' ARG . 45.0 mt-10 -55.31 -48.69 73.74 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -64.22 -35.49 81.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.556 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -73.49 -37.51 65.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.663 0.268 . . . . 0.0 111.281 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 54' ' ' ALA . 88.1 t -65.82 -46.3 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.111 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 55' ' ' GLU . 94.0 t -59.4 -36.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.425 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 34.2 t70 -63.27 -49.8 72.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.24 176.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -55.35 -45.77 76.43 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.735 0.779 . . . . 0.0 110.159 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -65.13 -37.32 87.05 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.612 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.8 t -81.31 -14.91 56.82 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.425 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 52.5 mtt180 -89.19 -42.17 11.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 0.0 111.099 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 34.4 m-80 -92.95 -47.6 6.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.254 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 79.2 -1.41 2.27 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.334 169.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 34.7 t80 -91.82 84.42 5.39 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.996 0.426 . . . . 0.0 110.558 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.504 ' O ' ' HE2' ' A' ' 3' ' ' LYS . 15.3 ttm180 -106.64 8.19 31.0 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.2 t90 . . . . . 0 C--O 1.243 0.758 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.56 -175.687 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -100.23 135.63 41.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.215 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.872 ' HE3' ' HA3' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -60.34 113.98 2.68 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -74.87 155.63 37.3 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.822 -173.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 115.54 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.877 ' HB1' ' HB2' ' A' ' 10' ' ' TRP . . . -64.3 87.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.869 0.73 . . . . 0.0 112.198 -174.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.73 54.65 0.76 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.03 -55.02 0.34 Allowed Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 9.3 p30 -65.73 -32.89 74.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.716 0.293 . . . . 0.0 110.661 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.877 ' HB2' ' HB1' ' A' ' 6' ' ' ALA . 26.2 t-105 -57.07 -50.93 71.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.738 -177.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -81.75 -44.38 17.11 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.701 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.24 -40.99 77.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -172.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 49.6 m-85 -84.73 -11.33 56.04 Favored 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.409 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 42.5 mtpt -60.08 -41.95 93.53 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 166.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -70.12 -47.36 45.85 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.927 175.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.551 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.1 mptp? -63.29 -46.76 85.24 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 24' ' ' LEU . 91.3 t -64.2 -34.57 69.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.816 0.341 . . . . 0.0 111.129 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' CE ' ' A' ' 29' ' ' MET . 11.5 mmmm -72.08 -28.97 63.66 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.032 -0.417 . . . . 0.0 111.072 176.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 51.7 mt-10 -65.24 -47.0 78.29 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.495 0.664 . . . . 0.0 109.324 170.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.615 ' HB2' ' CD1' ' A' ' 61' ' ' TRP . 33.1 tp60 -50.85 -60.74 2.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.278 -1.328 . . . . 0.0 111.792 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.825 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -122.95 -55.8 1.78 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.06 -28.29 6.76 Favored Glycine 0 C--O 1.228 -0.249 0 C-N-CA 119.942 -1.123 . . . . 0.0 113.234 174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 7.3 mmtt -70.6 -6.86 39.87 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.247 0.546 . . . . 0.0 110.445 176.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.809 ' HB3' ' OD2' ' A' ' 28' ' ' ASP . 4.9 mt -74.27 -178.46 3.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.688 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.0 p -149.8 155.46 40.13 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.835 -0.166 . . . . 0.0 110.9 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.71 -35.37 30.9 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 30' ' ' THR . 8.9 t70 -58.29 -39.67 79.91 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 116.767 -0.197 . . . . 0.0 111.117 176.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.809 ' OD2' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.41 -47.85 69.05 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.586 0.708 . . . . 0.0 110.043 -178.001 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.63 ' HG2' ' OD2' ' A' ' 28' ' ' ASP . 2.8 mtp -69.15 -29.1 67.05 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.158 -164.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 27' ' ' ASP . 9.1 t -68.69 -25.05 64.59 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.375 175.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -91.19 -38.81 11.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 120.817 0.342 . . . . 0.0 111.08 176.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HD13 ' O ' ' A' ' 28' ' ' ASP . 1.7 mp -81.74 -17.09 11.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 -169.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -31.92 -48.44 0.16 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -173.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.872 ' HA3' ' HE3' ' A' ' 3' ' ' LYS . . . -139.25 45.32 1.03 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.418 175.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 75.4 mmtt -131.75 96.5 3.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.911 0.386 . . . . 0.0 111.171 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -50.7 -50.7 54.43 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.981 175.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -57.65 -40.62 79.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.625 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 26.3 mm-40 -69.36 -36.76 77.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.883 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' CD1' HD11 ' A' ' 24' ' ' LEU . 44.1 tp -64.17 -39.04 93.16 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.788 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 75.2 t -55.29 -51.62 54.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.861 0.363 . . . . 0.0 110.363 175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.64 -41.15 99.54 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.659 178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 46.2 mmtt -69.6 -41.28 75.96 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.629 HG22 ' HD2' ' A' ' 49' ' ' TYR . 89.8 mt -61.75 -40.11 85.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.596 175.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.7 mt-30 -63.9 -27.13 68.94 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.299 0.571 . . . . 0.0 110.319 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.38 -54.34 5.29 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.017 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.549 ' HG3' ' HA ' ' A' ' 24' ' ' LEU . 5.9 mmp_? -65.72 -58.08 6.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.704 -173.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 95.6 m-85 -80.33 -46.4 16.17 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.081 0.467 . . . . 0.0 111.013 177.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 101.43 46.09 1.73 Allowed Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.699 -174.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.629 ' HD2' HG22 ' A' ' 43' ' ' ILE . 25.3 m-85 -91.16 169.79 10.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.003 0.43 . . . . 0.0 110.982 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -85.32 155.35 21.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.178 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -57.21 -32.19 66.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -55.55 -56.12 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.428 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -69.24 -44.64 71.57 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.666 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -56.89 -46.52 81.85 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.1 mt-10 -65.09 -39.93 93.89 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.91 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.98 -40.78 90.3 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 111.115 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -68.37 -39.09 81.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 54' ' ' ALA . 82.7 t -63.56 -44.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.974 178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 71.9 t -60.83 -39.54 82.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 122.487 0.315 . . . . 0.0 111.229 179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.637 ' O ' ' HG2' ' A' ' 64' ' ' ARG . 25.9 t70 -64.47 -54.0 39.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.615 ' CD1' ' HB2' ' A' ' 20' ' ' GLN . 91.3 t90 -56.42 -38.48 71.63 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.449 0.642 . . . . 0.0 110.147 177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.631 ' HB2' HH12 ' A' ' 68' ' ' ARG . 12.2 tt0 -52.2 -55.66 19.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.389 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 97.3 m -65.08 -29.7 70.6 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 30.0 mmt180 -64.71 -44.66 89.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.212 0.53 . . . . 0.0 110.71 -179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.512 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.1 m-80 -105.77 -49.52 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.273 -171.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.8 mm-40 81.19 -38.11 0.13 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.953 0.901 . . . . 0.0 112.193 174.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 9' ' ' ASN . 2.2 t80 -76.06 93.25 3.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.831 0.348 . . . . 0.0 110.097 178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.631 HH12 ' HB2' ' A' ' 62' ' ' GLU . 13.6 ttp180 -179.07 -43.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.799 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 68' ' ' ARG . 5.5 m-90 . . . . . 0 C--O 1.249 1.07 0 O-C-N 124.307 1.005 . . . . 0.0 110.516 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ttt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.898 0.38 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.414 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -100.57 122.29 43.0 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.376 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.949 ' HE2' ' HB3' ' A' ' 69' ' ' TRP . 0.1 OUTLIER -72.13 144.85 48.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.547 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -113.21 113.52 25.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.295 0.569 . . . . 0.0 110.759 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.06 137.06 52.46 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 172.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HA ' ' CB ' ' A' ' 10' ' ' TRP . . . -161.74 27.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 179.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 -68.31 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.309 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.68 -63.69 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.071 -173.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -83.82 -32.88 25.07 Favored 'General case' 0 C--N 1.318 -0.769 0 O-C-N 122.729 -0.277 . . . . 0.0 110.845 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.499 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 43.8 t90 -57.01 -41.01 77.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.113 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.32 -45.72 79.34 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.785 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -67.2 -32.61 73.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.467 0.651 . . . . 0.0 109.877 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.9 t80 -81.11 -44.26 18.2 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.557 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 39.4 ttpt -49.52 -49.69 44.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.189 176.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -63.99 -30.4 77.63 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.822 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HB3' ' HZ2' ' A' ' 61' ' ' TRP . 46.1 tttt -80.95 -28.87 35.52 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.658 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.551 HG13 ' CE3' ' A' ' 21' ' ' TRP . 47.8 t -68.17 -31.1 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.41 173.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HA ' ' HA2' ' A' ' 22' ' ' GLY . 50.7 mtpt -73.59 -23.91 59.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.681 176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 54.1 mt-10 -71.26 -47.22 58.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.883 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.98 -63.04 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.551 ' CE3' HG13 ' A' ' 17' ' ' VAL . 32.5 m-90 -83.76 -74.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.933 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.61 ' HA2' ' HA ' ' A' ' 18' ' ' LYS . . . 85.95 -21.93 13.8 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.503 -0.855 . . . . 0.0 112.936 178.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 9.6 mmtt -70.0 -21.36 63.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.112 0.482 . . . . 0.0 110.459 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -85.07 138.93 32.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.745 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.3 p -104.53 -176.49 3.09 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.364 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -57.73 -42.01 82.98 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 110.575 -0.157 . . . . 0.0 110.575 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.719 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.2 t70 -51.74 -54.37 29.2 Favored 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.421 0.45 . . . . 0.0 110.668 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 32' ' ' ILE . 10.7 m-20 -59.61 -49.36 78.05 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.24 -175.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.559 ' SD ' ' HG3' ' A' ' 14' ' ' LYS . 62.7 mtt -72.36 -19.35 61.65 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.978 -173.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.8 m -77.3 -26.88 52.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.178 0.514 . . . . 0.0 109.78 173.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.719 HG13 ' O ' ' A' ' 27' ' ' ASP . 3.7 mt -78.0 -26.94 14.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.351 0.596 . . . . 0.0 109.429 176.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 28' ' ' ASP . 58.2 mt -85.17 -51.46 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.13 -175.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 32' ' ' ILE . 3.7 tm-20 68.87 -58.6 0.49 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.86 0.725 . . . . 0.0 111.716 178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.89 22.62 0.03 OUTLIER Glycine 0 N--CA 1.441 -1.03 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 59.5 mttp -88.65 127.59 35.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.212 0.53 . . . . 0.0 110.419 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -65.2 -44.18 89.17 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.01 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -63.96 -43.29 96.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.168 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 5.4 mm-40 -60.8 -40.31 92.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.836 -177.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.726 HD22 HH12 ' A' ' 68' ' ' ARG . 52.0 tp -63.37 -43.72 96.83 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.28 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 74.6 t -54.97 -46.14 76.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 110.187 177.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -59.08 -49.91 73.41 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.125 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD3' ' OE2' ' A' ' 45' ' ' GLU . 33.2 mmtt -62.52 -39.27 93.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 39' ' ' LEU . 88.4 mt -56.83 -47.46 82.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 110.332 174.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.2 mt-30 -67.72 -19.51 65.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.222 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' OE2' ' HD3' ' A' ' 42' ' ' LYS . 41.8 mt-10 -90.9 -55.39 3.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.951 0.405 . . . . 0.0 111.581 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -72.81 -36.69 67.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.196 -170.472 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CE2' ' HD1' ' A' ' 21' ' ' TRP . 88.0 m-85 -91.38 -46.53 7.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.488 0.661 . . . . 0.0 110.427 174.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.66 32.72 5.85 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.112 -172.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -79.0 171.43 15.23 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.462 0.648 . . . . 0.0 112.287 -178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -82.45 152.84 25.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.28 172.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -58.62 -34.94 71.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.337 0.589 . . . . 0.0 109.969 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.01 -56.34 20.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.84 176.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -71.21 -35.92 71.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.42 -47.48 81.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.255 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' O ' HG23 ' A' ' 59' ' ' VAL . 40.3 mt-10 -70.61 -34.48 72.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.308 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -64.13 -42.05 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.061 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.85 -34.6 78.51 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.878 0.37 . . . . 0.0 110.161 174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 54' ' ' ALA . 54.8 t -61.0 -54.35 36.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.666 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.438 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 55' ' ' GLU . 88.3 t -56.08 -44.6 79.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -174.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -58.74 -61.6 2.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.526 0.679 . . . . 0.0 110.653 -178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.649 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 79.9 t90 -71.76 -24.28 61.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.76 -57.38 11.12 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.002 177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.535 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 3.0 t -66.13 -19.32 65.8 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -174.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.547 ' HD2' ' HA ' ' A' ' 61' ' ' TRP . 84.4 mtt180 -60.44 -42.36 95.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 170.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 40.3 m-80 -103.19 -59.45 1.71 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.448 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.535 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 65.0 mm-40 86.48 -35.81 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.063 0.945 . . . . 0.0 111.48 173.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -79.9 82.56 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.357 0.598 . . . . 0.0 110.931 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.726 HH12 HD22 ' A' ' 39' ' ' LEU . 16.3 ttm-85 -129.24 -36.43 1.72 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.98 175.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.949 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 21.0 t-105 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.154 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -86.26 123.03 31.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.317 0.58 . . . . 0.0 111.798 -176.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.63 ' NZ ' ' HA ' ' A' ' 69' ' ' TRP . 23.1 ttpp -92.74 131.6 37.67 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 170.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -68.2 151.64 46.67 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 171.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -113.08 110.94 21.29 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.597 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HA ' ' ND2' ' A' ' 9' ' ' ASN . . . 63.77 -70.58 0.07 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.165 0.916 . . . . 0.0 111.568 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.73 34.06 64.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 121.151 -0.547 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.62 -11.51 59.49 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.044 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.706 HD22 ' HE1' ' A' ' 67' ' ' TYR . 11.5 p30 -69.75 -18.74 63.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 117.426 0.613 . . . . 0.0 110.916 -178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.669 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 44.5 p-90 -57.29 -50.08 74.04 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.367 -172.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.06 -33.37 75.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 110.427 -177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -78.95 -45.07 21.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.63 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 31.1 m-85 -82.43 -9.6 59.37 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 120.896 0.379 . . . . 0.0 111.486 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 40.1 mtmt -60.8 -41.75 96.24 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 165.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.531 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -74.62 -41.62 34.9 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.187 175.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 9.0 mptt -63.93 -47.78 79.17 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -176.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.693 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 25.8 t -66.44 -30.56 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.39 176.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 18' ' ' LYS . 11.2 tmtt? -68.49 -32.79 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.918 0.39 . . . . 0.0 110.115 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 39.5 mt-10 -68.52 -29.43 68.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.382 0.611 . . . . 0.0 110.046 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 38.1 tp60 -70.63 -59.62 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.132 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.541 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -129.69 100.77 5.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.23 -179.728 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.25 -6.98 59.22 Favored Glycine 0 CA--C 1.517 0.174 0 CA-C-N 115.529 -0.759 . . . . 0.0 113.752 -176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.9 tmtt? -70.96 -28.56 64.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.013 0.435 . . . . 0.0 110.185 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HB3' ' SD ' ' A' ' 29' ' ' MET . 68.6 mt -72.42 145.16 47.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.026 -179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.691 ' O ' ' HG2' ' A' ' 29' ' ' MET . 40.3 p -122.71 -178.92 4.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.277 -176.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -53.09 -44.35 67.49 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.71 ' O ' HG13 ' A' ' 31' ' ' ILE . 19.1 t70 -54.78 -50.98 67.17 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 14.7 m-20 -59.7 -54.32 47.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.096 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.693 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 31.3 mmm -56.93 -39.94 75.44 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.29 -174.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.2 m -68.0 -28.17 67.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.501 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.71 HG13 ' O ' ' A' ' 27' ' ' ASP . 1.8 mt -83.94 -30.77 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.103 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.644 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 51.7 mt -74.78 -68.31 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.03 -177.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 32' ' ' ILE . 4.8 pt-20 47.37 -60.2 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.779 1.632 . . . . 0.0 114.638 -174.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ILE . . . -152.71 17.12 0.74 Allowed Glycine 0 CA--C 1.518 0.251 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -88.81 118.34 28.43 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.062 -0.569 . . . . 0.0 110.674 -177.263 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.594 ' HG3' ' NH2' ' A' ' 68' ' ' ARG . 2.7 tmt_? -63.74 -47.39 81.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.487 -177.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.84 -34.06 77.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.376 -178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.548 ' HB3' HG12 ' A' ' 32' ' ' ILE . 33.2 mm-40 -64.34 -52.4 58.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.771 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' O ' HG13 ' A' ' 43' ' ' ILE . 35.5 tp -62.19 -39.39 92.56 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.646 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.632 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 70.6 t -53.36 -55.07 14.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.621 0.248 . . . . 0.0 110.37 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -63.97 -41.91 98.47 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.267 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 43.2 mmtt -59.85 -45.35 92.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.5 mt -59.28 -44.63 92.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.919 0.39 . . . . 0.0 110.711 176.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.632 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 21.1 mt-30 -61.87 -26.43 68.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.637 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 53.8 mt-10 -96.26 -54.0 3.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -175.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -62.55 -44.14 97.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.707 -173.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 94.7 m-85 -89.56 -43.32 10.87 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.575 0.702 . . . . 0.0 109.965 174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 99.45 47.93 1.75 Allowed Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.651 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.486 ' HD2' HG22 ' A' ' 43' ' ' ILE . 22.7 m-85 -97.74 167.48 10.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.072 0.463 . . . . 0.0 111.104 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -82.77 156.76 23.54 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.898 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HG3' ' OE1' ' A' ' 44' ' ' GLN . 18.4 ttpp -56.89 -36.19 69.84 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.324 0.39 . . . . 0.0 110.304 -177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.22 -55.47 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.149 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 51.6 tt0 -67.6 -41.69 83.63 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.405 -177.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -59.67 -47.03 87.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.168 -177.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.586 ' O ' HG23 ' A' ' 59' ' ' VAL . 39.4 mt-10 -61.95 -37.64 85.47 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.085 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -59.77 -43.34 94.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.01 0.433 . . . . 0.0 110.794 176.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 53' ' ' GLN . 75.6 mt-10 -73.22 -31.24 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.279 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 54' ' ' ALA . 73.2 t -65.85 -44.98 92.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.519 174.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 55' ' ' GLU . 74.6 t -56.78 -41.62 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 123.184 0.302 . . . . 0.0 111.28 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -61.53 -48.44 81.03 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.412 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.86 -42.93 98.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.528 0.68 . . . . 0.0 110.11 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -58.96 -50.39 74.26 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 111.379 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 59' ' ' VAL . 12.2 t -79.97 -14.55 58.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.852 0.358 . . . . 0.0 110.905 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -84.28 -43.25 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.17 -59.92 1.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.367 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 76.85 -12.08 1.1 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.626 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.706 ' HE1' HD22 ' A' ' 9' ' ' ASN . 11.9 t80 -71.7 100.1 2.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 174.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.594 ' NH2' ' HG3' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -114.31 -5.53 12.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.03 -170.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.63 ' HA ' ' NZ ' ' A' ' 3' ' ' LYS . 20.1 p90 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.886 -0.578 . . . . 0.0 110.72 -176.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -74.93 122.87 24.11 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 171.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.606 ' HE2' ' HA2' ' A' ' 34' ' ' GLY . 2.8 ttmp? -60.35 125.33 23.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.958 0.409 . . . . 0.0 110.817 -173.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -78.28 169.6 17.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.206 -174.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.56 132.72 30.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.51 -176.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.53 89.23 3.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.301 0.572 . . . . 0.0 110.299 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.66 132.44 2.53 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.969 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.89 -72.23 2.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.394 -173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.641 HD22 ' HE2' ' A' ' 67' ' ' TYR . 28.9 p-10 -65.94 -36.96 84.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.168 0.509 . . . . 0.0 110.476 177.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.477 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 29.9 t-105 -69.75 -38.08 76.68 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.173 178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -61.17 -34.29 74.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.79 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.78 -42.11 91.17 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.83 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.685 ' HE2' ' HD2' ' A' ' 67' ' ' TYR . 16.3 m-85 -73.65 -36.79 65.43 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.98 ' HA ' ' SD ' ' A' ' 29' ' ' MET . 54.7 mtpt -55.13 -42.18 72.66 Favored 'General case' 0 C--N 1.311 -1.099 0 C-N-CA 120.102 -0.639 . . . . 0.0 109.691 174.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -72.02 -40.35 57.01 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.223 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 65' ' ' ASN . 20.5 tptm -65.79 -42.95 90.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.059 0.456 . . . . 0.0 111.333 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.667 ' HB ' ' SD ' ' A' ' 29' ' ' MET . 47.3 t -72.56 -25.84 23.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 42.7 mtpt -75.18 -18.78 60.1 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 119.887 -0.725 . . . . 0.0 111.368 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.28 -34.13 55.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.579 0.704 . . . . 0.0 109.186 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -70.76 -63.53 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.774 176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.5 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 1.4 m95 -127.8 96.66 4.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.846 -179.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.34 -5.88 60.41 Favored Glycine 0 CA--C 1.522 0.492 0 CA-C-N 116.06 -0.518 . . . . 0.0 113.341 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.745 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 5.6 mmtt -75.39 -30.15 60.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.691 -0.3 . . . . 0.0 111.149 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 46' ' ' ARG . 57.9 mt -70.96 137.93 49.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.836 -176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.6 p -105.36 -170.55 1.76 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.753 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -65.76 -44.95 84.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.766 -175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.632 ' O ' HG13 ' A' ' 31' ' ' ILE . 28.6 t70 -65.83 -38.28 88.48 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.312 -179.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 46.5 m-20 -59.8 -54.46 45.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 121.067 0.461 . . . . 0.0 109.901 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.98 ' SD ' ' HA ' ' A' ' 14' ' ' LYS . 4.7 ttm -66.07 -33.12 75.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.08 -176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.1 m -54.87 -37.48 66.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.925 0.393 . . . . 0.0 110.655 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.632 HG13 ' O ' ' A' ' 27' ' ' ASP . 2.5 mt -79.34 -24.83 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.111 0.482 . . . . 0.0 110.181 178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.613 HD13 ' HG ' ' A' ' 39' ' ' LEU . 68.3 mt -80.61 -19.7 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.375 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.533 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HA ' ' CH2' ' A' ' 10' ' ' TRP . 17.2 tt0 -28.08 -58.66 0.12 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.659 1.184 . . . . 0.0 113.49 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.606 ' HA2' ' HE2' ' A' ' 3' ' ' LYS . . . -123.15 20.21 7.59 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.388 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.752 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 30.0 mmtp -122.66 101.67 7.61 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.882 0.849 . . . . 0.0 111.721 -176.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.521 ' HA ' ' NH2' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -58.67 -43.08 89.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.711 -1.132 . . . . 0.0 109.346 176.223 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.77 -33.46 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.09 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.752 ' HB2' ' HB2' ' A' ' 35' ' ' LYS . 6.3 mm-40 -64.9 -42.05 95.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.544 -179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.708 ' HB2' HH22 ' A' ' 68' ' ' ARG . 0.5 OUTLIER -63.39 -40.71 97.97 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 119.087 -1.045 . . . . 0.0 109.718 177.574 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 79.7 t -55.44 -50.15 67.98 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-O 120.974 0.416 . . . . 0.0 110.049 175.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' HE21 ' A' ' 44' ' ' GLN . . . -60.81 -44.11 98.41 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.591 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 60.4 mmtt -63.6 -42.41 98.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -177.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 39' ' ' LEU . 63.1 mt -58.05 -45.74 88.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.166 176.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 47.5 mt-30 -61.73 -39.88 93.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.223 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.3 -39.22 15.56 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.552 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -72.89 -46.42 52.84 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.932 -173.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.745 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 86.0 m-85 -93.3 -46.04 7.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.392 0.615 . . . . 0.0 110.964 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.08 63.88 0.59 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.011 -173.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HD2' HG22 ' A' ' 43' ' ' ILE . 29.4 m-85 -120.0 162.22 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.981 0.42 . . . . 0.0 110.745 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -79.51 155.88 28.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.691 174.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.65 -33.69 70.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.338 . . . . 0.0 110.579 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -56.89 -54.16 49.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.92 178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -72.22 -34.08 68.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.206 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -61.75 -46.76 88.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.038 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 59' ' ' VAL . 49.1 mt-10 -64.6 -37.16 86.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.668 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -61.0 -44.39 97.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.75 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -69.99 -34.94 74.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 54' ' ' ALA . 74.3 t -63.34 -46.08 96.46 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.359 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.62 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 55' ' ' GLU . 86.5 t -61.11 -38.39 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.556 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.0 -51.74 67.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.213 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.589 ' HZ3' ' HD2' ' A' ' 68' ' ' ARG . 76.5 t90 -64.18 -39.46 94.03 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.483 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 58' ' ' VAL . 0.8 OUTLIER -55.23 -52.34 63.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.55 -177.07 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.597 ' HA ' ' OE2' ' A' ' 66' ' ' GLU . 14.2 t -70.65 -23.0 62.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.535 -176.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.9 mtt85 -64.03 -43.29 96.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.749 0.309 . . . . 0.0 111.684 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.549 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 43.9 m-80 -103.84 -61.89 1.38 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.688 -171.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 63' ' ' THR . 54.5 mm-40 88.04 -32.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.25 0.969 . . . . 0.0 111.813 171.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.685 ' HD2' ' HE2' ' A' ' 13' ' ' PHE . 71.8 t80 -72.88 87.95 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.079 0.466 . . . . 0.0 110.365 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.708 HH22 ' HB2' ' A' ' 39' ' ' LEU . 69.3 ttt180 -156.09 2.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.66 -178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.301 -174.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -97.87 147.15 24.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.401 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -73.01 150.87 42.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 172.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.18 138.44 58.41 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -65.08 128.15 34.58 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.731 0.777 . . . . 0.0 112.067 -170.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 10' ' ' TRP . . . -103.59 111.1 23.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.268 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.12 -53.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.426 -176.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.15 -34.43 4.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.676 178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.603 HD22 ' HE2' ' A' ' 67' ' ' TYR . 18.9 p-10 -70.98 -27.23 63.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.659 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -67.62 -35.16 78.42 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.76 -38.0 89.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -61.24 -45.55 94.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.923 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.659 ' CZ ' ' HB3' ' A' ' 67' ' ' TYR . 55.9 m-85 -81.64 -11.42 59.1 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -176.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 10' ' ' TRP . 53.3 mtpt -63.31 -35.2 79.58 Favored 'General case' 0 C--N 1.309 -1.176 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 168.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.54 -45.66 28.28 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.479 173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 6.1 mptt -62.86 -44.46 96.05 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 ' HB ' ' CE ' ' A' ' 29' ' ' MET . 95.5 t -62.74 -35.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.294 175.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -74.06 -26.81 60.6 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.745 -0.597 . . . . 0.0 111.41 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -70.07 -39.77 75.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.37 0.605 . . . . 0.0 109.443 170.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' HB2' ' HD1' ' A' ' 61' ' ' TRP . 37.1 tp60 -59.12 -61.91 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.005 175.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.581 ' HA ' ' CE3' ' A' ' 21' ' ' TRP . 2.7 m95 -114.94 -70.29 0.81 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.27 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 -25.04 23.51 Favored Glycine 0 C--N 1.321 -0.268 0 C-N-CA 120.138 -1.029 . . . . 0.0 112.393 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 47' ' ' TYR . 4.3 tmtt? -71.08 -8.71 55.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.415 0.626 . . . . 0.0 110.036 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 42' ' ' LYS . 89.9 mt -86.61 169.19 12.96 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.478 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.655 ' O ' ' HB3' ' A' ' 28' ' ' ASP . 12.4 p -131.52 -173.49 3.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.037 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.475 ' HA ' ' HG3' ' A' ' 29' ' ' MET . 31.4 t70 -64.2 -34.77 78.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 111.5 -176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.567 ' O ' HG13 ' A' ' 31' ' ' ILE . 3.1 p30 -65.78 -19.86 66.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.89 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 13.0 t70 -71.48 -63.54 1.1 Allowed 'General case' 0 CA--C 1.492 -1.283 0 CA-C-O 122.339 1.066 . . . . 0.0 108.821 171.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.566 ' CE ' ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -61.16 -37.24 82.18 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 112.726 -2.034 . . . . 0.0 111.572 -164.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.587 ' HA ' ' HZ3' ' A' ' 10' ' ' TRP . 27.5 m -67.36 -36.22 80.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.304 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.721 ' O ' ' HD3' ' A' ' 35' ' ' LYS . 4.0 mt -90.97 -26.03 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 111.167 -177.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 38' ' ' GLN . 1.7 mp -90.6 -20.17 6.99 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -171.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.25 -45.11 1.33 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -169.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 14.52 6.58 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.358 -0.925 . . . . 0.0 113.578 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.721 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 7.2 mptt -121.63 113.95 20.47 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.654 0.74 . . . . 0.0 111.566 -177.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HG2' HG11 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -64.02 -43.67 94.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.047 178.141 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -57.28 -41.86 80.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.5 ' HB3' HD12 ' A' ' 32' ' ' ILE . 79.8 mm-40 -63.29 -46.39 86.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.857 -177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.647 HD23 HG13 ' A' ' 58' ' ' VAL . 37.4 tp -61.41 -34.39 75.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.81 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 81.6 t -55.33 -49.23 74.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.32 176.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' O ' ' HG3' ' A' ' 45' ' ' GLU . . . -58.31 -48.4 83.83 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.635 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.89 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 69.8 mmtt -59.77 -47.1 87.02 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' HD2' ' A' ' 49' ' ' TYR . 68.1 mt -58.04 -40.95 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.837 0.351 . . . . 0.0 110.84 179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 50.0 mt-30 -63.76 -30.08 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.076 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 41' ' ' GLY . 58.8 mt-10 -89.67 -46.67 8.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.656 -174.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HG2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -72.06 -45.92 58.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 96.3 m-85 -92.84 -43.85 8.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.475 0.655 . . . . 0.0 110.42 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 44' ' ' GLN . . . 98.96 60.71 0.87 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.756 -174.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' HD2' HG22 ' A' ' 43' ' ' ILE . 32.1 m-85 -109.76 159.76 16.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.785 0.326 . . . . 0.0 110.996 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -70.22 146.95 50.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.355 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 59.2 tttm -52.54 -38.45 59.79 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.348 0.405 . . . . 0.0 111.117 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.67 -52.81 62.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.022 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.47 -41.87 79.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.653 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.658 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -57.4 -46.16 83.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.072 -178.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 45.0 mt-10 -59.38 -43.48 92.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.837 0.351 . . . . 0.0 110.479 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -61.97 -39.76 93.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.318 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -72.54 -31.42 65.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.116 -178.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 54' ' ' ALA . 48.9 t -66.23 -49.89 72.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 174.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.1 t -60.05 -37.17 71.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.096 177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -62.38 -47.05 85.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.321 0.581 . . . . 0.0 109.77 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.464 ' HD1' ' HB2' ' A' ' 20' ' ' GLN . 86.0 t90 -58.56 -43.3 89.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.024 174.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.17 -37.47 85.71 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.039 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.9 t -79.27 -19.78 49.68 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.76 0.314 . . . . 0.0 111.109 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -87.48 -42.71 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.453 ' HB3' ' HE2' ' A' ' 13' ' ' PHE . 30.2 m-80 -92.81 -34.53 13.83 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.671 -177.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' ASN . 5.7 mm-40 79.58 -41.63 0.25 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.692 166.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.659 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 42.8 t80 -85.63 86.87 7.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.099 0.476 . . . . 0.0 111.833 -170.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 53.0 ttm-85 -111.25 -18.67 12.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 72.9 t90 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.571 177.182 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.521 0.201 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -93.45 146.99 23.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.134 0.492 . . . . 0.0 111.235 -173.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' A' ' 69' ' ' TRP . 12.6 mptt -90.2 152.41 21.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.97 166.27 22.52 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -72.48 153.56 41.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.098 0.475 . . . . 0.0 111.369 -173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.64 90.19 5.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.03 113.81 1.38 Allowed Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.494 177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.76 -45.32 2.68 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.744 -178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -64.48 -31.93 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.7 0.4 . . . . 0.0 111.256 -177.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.547 ' HA ' ' OE2' ' A' ' 33' ' ' GLU . 62.8 p-90 -60.19 -38.21 82.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.807 -177.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.61 -28.89 70.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.101 0.477 . . . . 0.0 110.878 -175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -79.17 -50.08 11.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.106 -177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 46.5 m-85 -81.47 -13.18 58.47 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.746 -176.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.742 ' HE2' ' HB3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -58.73 -47.88 83.07 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 168.462 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.611 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -68.23 -44.24 76.51 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.312 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB2' ' HA ' ' A' ' 13' ' ' PHE . 4.5 mptp? -60.36 -50.72 72.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 13' ' ' PHE . 40.4 t -61.74 -34.71 63.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.771 178.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -69.43 -23.18 63.65 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' A' ' 15' ' ' GLY . 41.2 mt-10 -69.77 -41.8 74.66 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -66.97 -53.23 33.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.631 176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.852 ' HB3' ' HH ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -138.37 108.39 6.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.14 -176.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 41.53 2.43 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 121.034 -0.603 . . . . 0.0 114.481 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HB2' ' CE2' ' A' ' 47' ' ' TYR . 7.1 mttp -116.95 -29.6 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 117.283 0.541 . . . . 0.0 110.683 172.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 28' ' ' ASP . 76.2 mt -63.27 124.97 22.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.053 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -106.11 -167.46 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.585 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -52.09 -45.17 64.73 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.753 0.421 . . . . 0.0 111.959 -174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.773 ' O ' HG13 ' A' ' 31' ' ' ILE . 20.5 t70 -58.65 -55.92 28.91 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.066 0.46 . . . . 0.0 110.13 177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.911 ' HA ' ' HE3' ' A' ' 42' ' ' LYS . 6.5 m-20 -59.01 -50.02 75.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.611 -173.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.742 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 1.9 mmt -60.42 -37.81 82.06 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.919 -174.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.2 m -77.2 -33.27 56.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.606 -176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.773 HG13 ' O ' ' A' ' 27' ' ' ASP . 10.6 mt -69.02 -33.47 59.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.041 0.448 . . . . 0.0 110.581 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.577 HG12 ' HB3' ' A' ' 38' ' ' GLN . 45.0 mt -84.48 -69.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.7 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' OE2' ' HA ' ' A' ' 10' ' ' TRP . 6.9 tp10 69.0 -59.84 0.47 Allowed 'General case' 0 N--CA 1.465 0.317 0 O-C-N 124.311 1.007 . . . . 0.0 111.836 -179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -160.22 2.95 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 38' ' ' GLN . 81.0 mttt -71.71 120.82 17.85 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 121.279 0.562 . . . . 0.0 110.363 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -67.69 -37.29 82.1 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.065 -175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -63.8 -40.6 97.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.094 178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.577 ' HB3' HG12 ' A' ' 32' ' ' ILE . 53.2 mm-40 -70.5 -35.86 73.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.023 -175.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.579 ' O ' HG13 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -66.25 -41.22 90.29 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.652 177.163 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 44' ' ' GLN . 78.2 t -54.95 -49.94 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.177 0 CA-C-O 120.98 0.419 . . . . 0.0 109.974 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' HG2' ' A' ' 45' ' ' GLU . . . -59.29 -52.75 51.41 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.263 178.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.911 ' HE3' ' HA ' ' A' ' 28' ' ' ASP . 32.0 mmtt -60.1 -39.1 85.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -176.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 39' ' ' LEU . 61.3 mt -62.48 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.491 177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 40' ' ' VAL . 46.3 mt-30 -62.27 -42.04 98.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' A' ' 41' ' ' GLY . 64.4 mm-40 -78.65 -54.4 6.15 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.722 -172.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 1.2 tpt180 -69.03 -44.11 73.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.414 0.626 . . . . 0.0 111.034 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.882 ' CE2' ' HB2' ' A' ' 23' ' ' LYS . 17.3 m-85 -94.75 -29.71 14.63 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.191 -171.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.64 55.43 2.44 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.052 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' HD2' HG22 ' A' ' 43' ' ' ILE . 36.3 m-85 -116.94 162.09 18.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.832 0.348 . . . . 0.0 110.674 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -79.17 156.32 28.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.605 175.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -51.21 -39.6 56.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.628 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 24.3 t70 -56.33 -60.68 3.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.288 179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HA ' ' HD2' ' A' ' 56' ' ' LYS . 51.3 tt0 -66.43 -35.74 81.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.838 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . . . -63.86 -46.9 82.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.266 -177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.6 mt-10 -67.56 -29.06 68.33 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.964 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' HA ' ' A' ' 53' ' ' GLN . 97.4 mttt -58.84 -51.69 68.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.117 0.484 . . . . 0.0 110.42 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.73 -36.92 84.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ALA . 77.9 t -65.17 -48.96 81.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.319 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLU . 68.8 t -56.95 -39.5 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.91 -53.39 47.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.572 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 17' ' ' VAL . 63.2 t90 -58.41 -42.39 87.1 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 121.352 0.596 . . . . 0.0 109.78 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 59' ' ' VAL . 25.0 tt0 -50.88 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.483 -1.235 . . . . 0.0 111.828 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 53.6 m -69.13 -25.46 64.4 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.101 -173.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -74.68 -42.56 58.23 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.624 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -95.96 -53.42 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.909 -174.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 75.55 -0.52 3.21 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 169.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.95 85.52 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -133.21 7.51 3.94 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.759 -173.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.495 ' HA ' ' HG3' ' A' ' 3' ' ' LYS . 42.7 p-90 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 114.549 -1.205 . . . . 0.0 109.439 -174.678 . . . . . . . . 1 1 . 1 stop_ save_